Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-
CAS Registry Number®
81005-56-3
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CAS Name
Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-Molecular Formula
C26H40O3Molecular Mass
400.59Cite this Page
Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81005-56-3 (retrieved ) (CAS RN: 81005-56-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-22-25-17(2)15-18-16-19(27)9-10-20(18)21(25)13-14-26(22,23)3/h16-17,20-23,25H,4-15H2,1-3H3/t17-,20+,21-,22+,23+,25-,26+/m1/s1
InChIKey
InChIKey=YHLLSSBURKVUEG-YFGHHJRWSA-N
SMILES
C[C@H]1[C@]2([C@]3([C@@](C)([C@@H](OC(CCCCCC)=O)CC3)CC[C@@]2([C@@]4(C(C1)=CC(=O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OC1CCC2C3C(C)CC4=CC(=O)CCC4C3CCC12C)CCCCCC
Other Names for this Substance
- Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-
