(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(5-oxidanylpentyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

Systemtic Name: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(5-oxidanylpentyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Openeye Name: (6aR,10aR)-9-(hydroxymethyl)-3-(5-hydroxypentyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol CAS Name: (6aR,10aR)-9-(hydroxymethyl)-3-(5-hydroxypentyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol IUPAC Name: (6aR,10aR)-9-(hydroxymethyl)-3-(5-hydroxypentyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Traditional Name: (6aR,10aR)-3-(5-hydroxypentyl)-6,6-dimethyl-9-methylol-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC=C(CC2C3=C(O1)C=C(C=C3O)CCCCCO)CO)C

Isomeric SMILES

CC1([C@@H]2CC=C(C[C@H]2C3=C(O1)C=C(C=C3O)CCCCCO)CO)C

InChI

InChI=1S/C21H30O4/c1-21(2)17-8-7-15(13-23)10-16(17)20-18(24)11-14(12-19(20)25-21)6-4-3-5-9-22/h7,11-12,16-17,22-24H,3-6,8-10,13H2,1-2H3/t16-,17-/m1/s1