(1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-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,9-diol

Systemtic Name: (1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-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,9-diol Openeye Name: (1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-1-[1-(hydroxymethyl)vinyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol CAS Name: (1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol IUPAC Name: (1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol Traditional Name: (1S,3aS,5aS,5bS,7aR,9S,11aS,11bS,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-1-(1-methylolvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CO)O)C)C)C

Isomeric SMILES

C[C@]12CC[C@]3(CC[C@@H]([C@@H]3[C@H]1CC[C@@H]4[C@@]2(CC[C@@H]5[C@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CO)O

InChI

InChI=1S/C29H48O3/c1-18(17-30)19-9-14-29(32)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(31)25(2,3)21(26)10-13-28(22,27)6/h19-24,30-32H,1,7-17H2,2-6H3/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+/m1/s1