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[(3S,8S,9R,10S,12R,13S,14R,17S)-17-ethanoyl-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 benzoate

Systemtic Name:	[(3S,8S,9R,10S,12R,13S,14R,17S)-17-ethanoyl-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 benzoate
Openeye Name:	[(3S,8S,9R,10S,12R,13S,14R,17S)-17-acetyl-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 benzoate
CAS Name:	benzoic acid [(3S,8S,9R,10S,12R,13S,14R,17S)-17-acetyl-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,13S,14R,17S)-17-acetyl-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 benzoate
Traditional Name:	benzoic acid [(3S,8S,9R,10S,12R,13S,14R,17S)-17-acetyl-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:	C₆₃H₈₈O₂₂
MolecularWeight:	1197.35962

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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(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1)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(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1)C)C)C)O)OC)O

InChI

InChI=1S/C63H88O22/c1-33-50(65)55(75-10)51(66)58(80-33)85-54-36(4)79-49(30-44(54)74-9)84-53-35(3)78-48(29-43(53)73-8)83-52-34(2)77-47(28-42(52)72-7)81-41-22-23-60(32-76-56(67)38-17-13-11-14-18-38)40(27-41)21-24-62(70)45(60)31-46(82-57(68)39-19-15-12-16-20-39)59(6)61(69,37(5)64)25-26-63(59,62)71/h11-21,33-36,41-55,58,65-66,69-71H,22-32H2,1-10H3/t33-,34-,35-,36-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50-,51-,52-,53-,54-,55+,58+,59-,60-,61-,62+,63-/m1/s1

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