Estriol 3,17-Dihexanoate

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Catalog Number ACM104202962
Product Name Estriol 3,17-Dihexanoate
CAS Number 104202-96-2
Structure Estriol 3,17-Dihexanoate
IUPAC Name [(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
Molecular Weight 484.7
Molecular Formula C30H44O5
Canonical SMILES CCCCCC(=O)OC1C(CC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CCCCC)C)O
Inchi InChI=1S/C30H44O5/c1-4-6-8-10-27(32)34-21-13-15-22-20(18-21)12-14-24-23(22)16-17-30(3)25(24)19-26(31)29(30)35-28(33)11-9-7-5-2/h13,15,18,23-26,29,31H,4-12,14,16-17,19H2,1-3H3/t23-,24-,25+,26-,29+,30+/m1/s1
InChIKey ZOVABFBGAYSQTL-AECPDVIXSA-N
Purity 98%
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