(2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-oxane-3,4-diol

Systemtic Name: (2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-oxane-3,4-diol Openeye Name: (2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-tetrahydropyran-3,4-diol CAS Name: (2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol IUPAC Name: (2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol Traditional Name: (2R,3S,4R,6R)-6-[1-[(8R,9S,10R,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-tetrahydropyran-3,4-diol Formula: C27H44O6 MolecularWeight: 464.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC(C)C2CCC3(C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H44O6/c1-15(32-23-14-22(29)24(30)16(2)33-23)19-9-12-27(31)21-6-5-17-13-18(28)7-10-25(17,3)20(21)8-11-26(19,27)4/h5,15-16,18-24,28-31H,6-14H2,1-4H3/t15?,16-,18?,19-,20+,21-,22-,23-,24-,25+,26-,27-/m1/s1