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[(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,3R,4S,5R,6R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-13-methyl-8,14,17-tris(oxidanyl)-12-(phenylcarbonyloxy)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-oxidanylbenzoate

Systemtic Name:	[(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,3R,4S,5R,6R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-13-methyl-8,14,17-tris(oxidanyl)-12-(phenylcarbonyloxy)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-oxidanylbenzoate
Openeye Name:	[(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetoxyethyl]-12-benzoyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate
CAS Name:	2-hydroxybenzoic acid [(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-12-benzoyloxy-3-[[(2R,4S,5R,6R)-5-[[(2S,4S,5R,6R)-5-[[(2S,4S,5R,6R)-5-[[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl ester
IUPAC Name:	[(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-12-benzoyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate
Traditional Name:	2-hydroxybenzoic acid [(3S,8S,9R,10S,12R,13R,14R,17S)-17-[(1S)-1-acetoxyethyl]-12-benzoyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl ester
Formula:	C₆₅H₉₂O₂₄
MolecularWeight:	1257.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(C)OC(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1O)C)C)C)O)OC)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@@H]4[C@H](O[C@H](C[C@@H]4OC)O[C@H]5CC[C@@]6([C@H]7C[C@H]([C@@]8([C@@](CC[C@@]8([C@@]7(CC=C6C5)O)O)([C@H](C)OC(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1O)C)C)C)O)OC)O

InChI

InChI=1S/C65H92O24/c1-33-52(68)57(78-11)53(69)60(83-33)89-56-36(4)82-51(30-46(56)77-10)88-55-35(3)81-50(29-45(55)76-9)87-54-34(2)80-49(28-44(54)75-8)85-41-22-23-62(32-79-59(71)42-19-15-16-20-43(42)67)40(27-41)21-24-64(73)47(62)31-48(86-58(70)39-17-13-12-14-18-39)61(7)63(72,25-26-65(61,64)74)37(5)84-38(6)66/h12-21,33-37,41,44-57,60,67-69,72-74H,22-32H2,1-11H3/t33-,34-,35-,36-,37+,41+,44+,45+,46+,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-,57+,60+,61-,62-,63-,64+,65-/m1/s1

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