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

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-[(1S)-1-oxidanylethyl]-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-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-hydroxyethyl]-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-hydroxyethyl]-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-hydroxyethyl]-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-hydroxyethyl]-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: C28H46O7 MolecularWeight: 494.66064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4C=CC3C2)CCC5(C(C)O)O)C)C)O)OC)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4C=C[C@H]3C2)CC[C@@]5([C@H](C)O)O)C)C)O)OC)O

InChI

InChI=1S/C28H46O7/c1-15-22(30)24(33-5)23(31)25(34-15)35-18-8-11-26(3)17(14-18)6-7-19-20(26)9-12-27(4)21(19)10-13-28(27,32)16(2)29/h6-7,15-25,29-32H,8-14H2,1-5H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26+,27+,28+/m1/s1