[(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
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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
Other Product
- 2,5-bis(chloranyl)cyclohexa-2,5-diene-1,4-diol
- 2,5-bis(chloranyl)benzene-1,4-diol
- 2,5-bis(chloranyl)phenol
- 2-oxidanylidenehexanedioic acid
- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- 5-[bis[2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]ethyl]amino]-5-oxidanylidene-2-[4,7,10-tris[5-[bis[2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]ethyl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
- 2-[ethyl-(fluoranylmethyl)-methyl-azaniumyl]ethanolate
- 3-prop-2-ynylpiperidin-2-one
- 4-fluoranylbenzamide
- ethyl 3-methyl-2-oxidanylidene-but-3-enoate
- 2-chloranyl-3,5-dimethyl-pyrazine
- 3-methyl-1-(2-oxidanylpropyl)azetidin-2-one
- (2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[6-[3-[[2-[6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-6-carboxy-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxyhexylamino]-2-oxidanylidene-ethyl]-[3-[[2-[[2-[6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-6-carboxy-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxyhexyl
- (E,3R,4R)-4-ethenyl-3-oxidanyl-hept-5-en-2-one
- 9-chloranyl-2,2-dimethyl-nonan-3-ol

