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17-acetoxy-3-(cyclopentyloxy)-19-nor-17.alpha.-pregha-1,3,5(10)-trien-20-yne
SpectraBase Compound ID 5X06RdqXRKc
InChI InChI=1S/C27H34O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,10,12,17,20,23-25H,5-9,11,13-16H2,2-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKey BBAPBGWCHARWQN-VKINHPFQSA-N
Mol Weight 406.6 g/mol
Molecular Formula C27H34O3
Exact Mass 406.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRhhFaEuFRH
Name 17-acetoxy-3-(cyclopentyloxy)-19-nor-17.alpha.-pregha-1,3,5(10)-trien-20-yne
Alternate Name(s) (17beta)-3-(cyclopentyloxy)-17-ethynylestra-1,3,5(10)-trien-17-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O3
InChI InChI=1S/C27H34O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,10,12,17,20,23-25H,5-9,11,13-16H2,2-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKey BBAPBGWCHARWQN-VKINHPFQSA-N
Molecular Weight 406.566 g/mol
SMILES [C@@]12([C@@](C#C)(OC(=O)C)CC[C@]2([C@@]2(CCc3c([C@]2(CC1)[H])ccc(OC1CCCC1)c3)[H])[H])C
SPLASH splash10-08fr-0792200000-18e72986581ea27aa632
Source of Spectrum CJ-1992-0-0
Wiley ID 1372422