4a-[(4-hydroxyphenyl)methyl]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol

Systemtic Name: 4a-[(4-hydroxyphenyl)methyl]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Openeye Name: 4a-[(4-hydroxyphenyl)methyl]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol CAS Name: 4a-[(4-hydroxyphenyl)methyl]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol IUPAC Name: 4a-[(4-hydroxyphenyl)methyl]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Traditional Name: 4a-(4-hydroxybenzyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O3/c1-2-11-23(27)12-13-24(15-17-3-7-20(25)8-4-17)19(16-23)6-5-18-14-21(26)9-10-22(18)24/h3-4,7-10,14,19,25-27H,5-6,12-13,15-16H2,1H3