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[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-10,13-dimethyl-17-[(2R)-5-(naphthalen-1-ylmethoxy)-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,1

[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-10,13-dimethyl-17-[(2R)-5-(naphthalen-1-ylmethoxy)-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,1

Systemtic Name:[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-10,13-dimethyl-17-[(2R)-5-(naphthalen-1-ylmethoxy)-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloranylethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,1
Openeye Name:[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-10,13-dimethyl-17-[(1R)-1-methyl-4-(1-naphthylmethoxy)-4-oxo-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrade
CAS Name:(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloro-1-oxoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis(2-chloro-1-oxoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentoxy]-10,13-dimethyl-17-[(2R)-5-(1-naphthalenylmethoxy)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,
IUPAC Name:[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-10,13-dimethyl-17-[(2R)-5-(naphthalen-1-ylmethoxy)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrad
Traditional Name:(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[(2-chloroacetyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy]-17-[(1R)-4-keto-1-methyl-4-(1-naphthylmethoxy)butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,
Formula: C119H168Cl6O20
MolecularWeight: 2131.31322
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC1CCC2(C(C1)CC(C3C2CC(C4(C3CCC4C(C)CCC(=O)OCC5=CC=CC6=CC=CC=C65)C)OC(=O)CCC(C)C7CCC8C7(C(CC9C8CCC1C9(CCC(C1)OC(=O)CCl)C)OC(=O)CCl)C)OC(=O)CCC(C)C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)OC(=O)CCl)C)OC(=O)CCl)C)C)C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)OC(=O)CCl)C)OC(=O)CCl)C


Isomeric SMILES

C[C@H](CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OCC5=CC=CC6=CC=CC=C65)C)OC(=O)CC[C@@H](C)[C@H]7CC[C@@H]8[C@@]7([C@H](C[C@H]9[C@H]8CC[C@H]1[C@@]9(CC[C@H](C1)OC(=O)CCl)C)OC(=O)CCl)C)OC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@H](C2)OC(=O)CCl)C)OC(=O)CCl)C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@H](C2)OC(=O)CCl)C)OC(=O)CCl)C


InChI

InChI=1S/C119H168Cl6O20/c1-66(20-38-101(126)136-65-71-18-15-17-70-16-13-14-19-80(70)71)87-33-37-91-111-95(58-100(119(87,91)12)142-104(129)41-23-69(4)86-32-36-90-83-29-26-74-52-78(140-107(132)61-122)44-48-114(74,7)94(83)57-99(118(86,90)11)145-110(135)64-125)115(8)49-45-79(137-102(127)39-21-67(2)84-30-34-88-81-27-24-72-50-76(138-105(130)59-120)42-46-112(72,5)92(81)55-97(116(84,88)9)143-108(133)62-123)53-75(115)54-96(111)141-103(128)40-22-68(3)85-31-35-89-82-28-25-73-51-77(139-106(131)60-121)43-47-113(73,6)93(82)56-98(117(85,89)10)144-109(134)63-124/h13-19,66-69,72-79,81-100,111H,20-65H2,1-12H3/t66-,67-,68-,69-,72-,73-,74-,75+,76-,77-,78-,79-,81+,82+,83+,84-,85-,86-,87-,88+,89+,90+,91+,92+,93+,94+,95+,96-,97+,98+,99+,100+,111+,112+,113+,114+,115+,116-,117-,118-,119-/m1/s1


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