methyl (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-(3-oxidanylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

Systemtic Name: methyl (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-(3-oxidanylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Openeye Name: methyl (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-9-hydroxy-8-(hydroxymethyl)-1-[1-(hydroxymethyl)vinyl]-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate CAS Name: (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-9-hydroxy-8-(hydroxymethyl)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-9-hydroxy-8-(hydroxymethyl)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Traditional Name: (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13bS)-9-hydroxy-5a,5b,8,11a-tetramethyl-8-methylol-1-(1-methylolvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester Formula: C31H50O5 MolecularWeight: 502.7257

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3(CCC(C3C1CCC4C2(CCC5C4(CCC(C5(C)CO)O)C)C)C(=C)CO)C(=O)OC

Isomeric SMILES

C[C@]12CCC([C@@]([C@@H]1CC[C@@]3([C@@H]2CCC4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(=C)CO)C(=O)OC)C)C)(C)CO)O

InChI

InChI=1S/C31H50O5/c1-19(17-32)20-9-14-31(26(35)36-6)16-15-29(4)21(25(20)31)7-8-23-27(2)12-11-24(34)28(3,18-33)22(27)10-13-30(23,29)5/h20-25,32-34H,1,7-18H2,2-6H3/t20-,21?,22+,23+,24?,25+,27-,28-,29+,30+,31-/m0/s1