[(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-[(E,2R)-6-methyl-2,6-bis(oxidanyl)hept-4-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-[(E,2R)-6-methyl-2,6-bis(oxidanyl)hept-4-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-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-hex-3-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-[(E,2R)-2,6-dihydroxy-6-methylhept-4-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-[(E,2R)-2,6-dihydroxy-6-methylhept-4-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-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-hex-3-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(=O)OCC1C(C(C(C(O1)OC2C(C(C3(C4CCC5C(CCC5(C4(CCC3C2(C)C)C)C)C(C)(CC=CC(C)(C)O)O)C)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C38H64O11/c1-20(39)47-19-23-26(40)27(41)28(42)32(48-23)49-31-29(43)30(44)38(9)24(34(31,4)5)14-18-36(7)25(38)12-11-21-22(13-17-35(21,36)6)37(8,46)16-10-15-33(2,3)45/h10,15,21-32,40-46H,11-14,16-19H2,1-9H3/b15-10+/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,35-,36-,37-,38+/m1/s1