(2R,3R,4S,5S,6R)-4-methoxy-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxyethyl]-10,13-dimethyl-17-oxidanyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-oxane-3,5-diol

Systemtic Name: (2R,3R,4S,5S,6R)-4-methoxy-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxyethyl]-10,13-dimethyl-17-oxidanyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-oxane-3,5-diol Openeye Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxyethyl]-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3,5-diol CAS Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-[[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]ethyl]-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxane-3,5-diol IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxyethyl]-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxane-3,5-diol Traditional Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxyethyl]-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3,5-diol Formula: C35H58O10 MolecularWeight: 638.82902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC(C)C2(CCC3C2(CCC4C3C=CC5C4(CCC(C5)OC6C(C(C(C(O6)C)O)OC)O)C)C)O)OC)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C=C[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)OC)O)C)C)O)OC)O

InChI

InChI=1S/C35H58O10/c1-18-28(36)26(40-6)17-27(42-18)44-20(3)35(39)15-12-25-23-9-8-21-16-22(10-13-33(21,4)24(23)11-14-34(25,35)5)45-32-30(38)31(41-7)29(37)19(2)43-32/h8-9,18-32,36-39H,10-17H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,28-,29+,30-,31+,32+,33+,34+,35+/m1/s1