CAS
213779-13-6 Purity
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213779-13-6 Purity
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ESTRIOL 3-BENZOATE
CAS
2137-85-1
Catalog Number
ACM2137851
Category
Other Products
Molecular Weight
392.487420 [g/mol]
Molecular Formula
C25H28O4
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Specification
Synonyms
ESTRIOL3-BENZOATE, SCHEMBL8177995, 2137-85-1
IUPAC Name
[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Canonical SMILES
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
InChI Key
XOFSFAAPNZBHAY-ROHWNPGJSA-N
H-Bond Acceptor
4
H-Bond Donor
2
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213779-24-9 Purity
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