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Estra-1,3,5(10)-triene-3,17-diol, 16,17-epoxy-, diacetate, (16.alpha.,17.beta.)-
SpectraBase Compound ID 9RBj9cWjDPE
InChI InChI=1S/C22H26O5/c1-12(23)25-15-5-7-16-14(10-15)4-6-18-17(16)8-9-21(3)19(18)11-20-22(21,27-20)26-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3
InChIKey RDIYWAUSNQBNQO-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUFwtFmFHud
Name Estra-1,3,5(10)-triene-3,17-diol, 16,17-epoxy-, diacetate, (16.alpha.,17.beta.)-
Alternate Name(s) 2-(Acetyloxy)-6a-methyl-4b,5,6,6a,7a,8,8a,8b,9,10-decahydro-6bh-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6b-yl acetate
CAS Registry Number 69744-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-12(23)25-15-5-7-16-14(10-15)4-6-18-17(16)8-9-21(3)19(18)11-20-22(21,27-20)26-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3
InChIKey RDIYWAUSNQBNQO-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC1C2(O1)OC(C)=O
SPLASH splash10-01t9-1796000000-19cc230ccd8244a3e2fa
Source of Spectrum W5-32119-0-0
Wiley ID 1354444