(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-ethylsulfanylprop-1-en-2-yl)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Systemtic Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-ethylsulfanylprop-1-en-2-yl)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol Openeye Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[1-(ethylsulfanylmethyl)vinyl]-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol CAS Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[3-(ethylthio)prop-1-en-2-yl]-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-ethylsulfanylprop-1-en-2-yl)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol Traditional Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[1-[(ethylthio)methyl]vinyl]-5a,5b,8,8,11a-pentamethyl-3a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol Formula: C32H54O2S MolecularWeight: 502.83496

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO

Isomeric SMILES

CCSCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO

InChI

InChI=1S/C32H54O2S/c1-8-35-19-21(2)22-11-16-32(20-33)18-17-30(6)23(27(22)32)9-10-25-29(5)14-13-26(34)28(3,4)24(29)12-15-31(25,30)7/h22-27,33-34H,2,8-20H2,1,3-7H3/t22-,23+,24-,25+,26-,27+,29-,30+,31+,32+/m0/s1