(6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

Systemtic Name: (6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol Openeye Name: (6S,6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6-(2-hydroxyethyl)-9-(hydroxymethyl)-6-methyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol CAS Name: (6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-1-ol IUPAC Name: (6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol Traditional Name: (6S,6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6-(2-hydroxyethyl)-6-methyl-9-methylol-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C3CC(CCC3C(O2)(C)CCO)CO)C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C([C@@H]3C[C@@H](CC[C@H]3[C@](O2)(C)CCO)CO)C(=C1)O

InChI

InChI=1S/C26H42O4/c1-5-6-7-8-11-25(2,3)19-15-22(29)24-20-14-18(17-28)9-10-21(20)26(4,12-13-27)30-23(24)16-19/h15-16,18,20-21,27-29H,5-14,17H2,1-4H3/t18-,20-,21-,26+/m1/s1