dodecyl (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[(2S,3R,4S,5S)-3-acetyloxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate

Systemtic Name: dodecyl (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[(2S,3R,4S,5S)-3-acetyloxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate Openeye Name: dodecyl (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[(2S,3R,4S,5S)-3-acetoxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate CAS Name: (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[[(2S,3R,4S,5S)-3-acetyloxy-4,5-dihydroxy-2-oxanyl]oxy]-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid dodecyl ester IUPAC Name: dodecyl (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[(2S,3R,4S,5S)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxy-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate Traditional Name: (2S)-2-[(3S,8R,9S,10R,13S,14S,16S,17S)-16-[(2S,3R,4S,5S)-3-acetoxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propionic acid lauryl ester Formula: C41H68O10 MolecularWeight: 720.97262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)O)OC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)[C@@H](C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)OC(=O)C)O

InChI

InChI=1S/C41H68O10/c1-6-7-8-9-10-11-12-13-14-15-22-48-37(46)26(2)41(47)34(51-38-36(50-27(3)42)35(45)33(44)25-49-38)24-32-30-17-16-28-23-29(43)18-20-39(28,4)31(30)19-21-40(32,41)5/h16,26,29-36,38,43-45,47H,6-15,17-25H2,1-5H3/t26-,29+,30-,31+,32+,33+,34+,35+,36-,38+,39+,40+,41-/m1/s1