[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2,5-bis(oxidanyl)hept-6-en-2-yl]-1,2-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2,5-bis(oxidanyl)hept-6-en-2-yl]-1,2-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-17-[(1R)-1,4-dihydroxy-1,5-dimethyl-hex-5-enyl]-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-17-[(2R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-17-[(2R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-17-[(1R)-1,4-dihydroxy-1,5-dimethyl-hex-5-enyl]-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C38H64O11 MolecularWeight: 696.90816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(C(C(C(C4(C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)O)O)C)C)C)O)O

Isomeric SMILES

CC(=C)C(CC[C@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3([C@@H]([C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O)O)O)C)C)C)O)O

InChI

InChI=1S/C38H64O11/c1-19(2)23(40)13-17-37(8,46)22-12-15-35(6)21(22)10-11-26-36(35,7)16-14-25-34(4,5)32(30(44)31(45)38(25,26)9)49-33-29(43)28(42)27(41)24(48-33)18-47-20(3)39/h21-33,40-46H,1,10-18H2,2-9H3/t21-,22+,23?,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,35-,36-,37-,38+/m1/s1