4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol

Systemtic Name: 4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Openeye Name: 4a-benzyl-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol CAS Name: 4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol IUPAC Name: 4a-benzyl-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Traditional Name: 4a-benzyl-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Formula: C24H26O2 MolecularWeight: 346.46204

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)O)CC4=CC=CC=C4)O

Isomeric SMILES

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)O)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3