InChI: | InChI=1/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3/t14-,15-,16+,17-,18+,19?/m1/s1 |
Specification: |
Descriptors computed from structure, you can know some information about 18-Homo-oestriol (CAS NO.19882-03-2) :
Canonical SMILES: CCC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)
10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3
InChIKey: KMVJBESLNMZCAQ-UHFFFAOYSA-N
Exact Mass: 302.188195
MonoIsotopic Mass: 302.188195
Topological Polar Surface Area: 60.7
Heavy Atom Count: 22
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