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[(3S,8S,9R,10R,12R,13S,14R,17R)-17-ethanoyl-3-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14-bis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate

Systemtic Name:	[(3S,8S,9R,10R,12R,13S,14R,17R)-17-ethanoyl-3-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14-bis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Openeye Name:	[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
CAS Name:	(E)-3-phenyl-2-propenoic acid [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[[(2R,4S,5R,6R)-5-[[(2S,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-5-[[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] ester
IUPAC Name:	[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Traditional Name:	(E)-3-phenylacrylic acid [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] ester
Formula:	C₆₂H₉₂O₂₃
MolecularWeight:	1205.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CCC4(C5CC(C6(C(CCC6(C5(CC=C4C3)O)O)C(=O)C)C)OC(=O)C=CC7=CC=CC=C7)C)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)OC)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@H]3CC[C@@]4([C@H]5C[C@H]([C@@]6([C@@H](CC[C@@]6([C@@]5(CC=C4C3)O)O)C(=O)C)C)OC(=O)/C=C/C7=CC=CC=C7)C)C)O)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)O

InChI

InChI=1S/C62H92O23/c1-30(64)38-19-22-62(72)60(38,7)45(81-46(67)16-15-35-13-11-10-12-14-35)28-44-59(6)20-18-37(23-36(59)17-21-61(44,62)71)79-49-26-41(73-8)56(33(4)77-49)84-48-25-40(66)54(31(2)76-48)82-47-24-39(65)55(32(3)75-47)83-50-27-42(74-9)57(34(5)78-50)85-58-53(70)52(69)51(68)43(29-63)80-58/h10-17,31-34,37-45,47-58,63,65-66,68-72H,18-29H2,1-9H3/b16-15+/t31-,32-,33-,34-,37+,38+,39+,40+,41+,42-,43-,44-,45-,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-/m1/s1

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