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2-(3.beta.-Acetoxyandrost-16-en-17-yl)-3,4-dihydro-2H-1-benzopyran
SpectraBase Compound ID LxVuZPREBji
InChI InChI=1S/C30H40O3/c1-19(31)32-22-14-16-29(2)21(18-22)9-10-23-24-11-12-26(30(24,3)17-15-25(23)29)28-13-8-20-6-4-5-7-27(20)33-28/h4-7,12,21-25,28H,8-11,13-18H2,1-3H3/t21?,22-,23?,24?,25?,28?,29-,30-/m0/s1
InChIKey BVOPASRHPPIETA-UJKYWIHJSA-N
Mol Weight 448.6 g/mol
Molecular Formula C30H40O3
Exact Mass 448.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvHEmvFmGy6
Name 2-(3.beta.-Acetoxyandrost-16-en-17-yl)-3,4-dihydro-2H-1-benzopyran
Alternate Name(s) (3beta)-17-(3,4-dihydro-2H-chromen-2-yl)androst-16-en-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40O3
InChI InChI=1S/C30H40O3/c1-19(31)32-22-14-16-29(2)21(18-22)9-10-23-24-11-12-26(30(24,3)17-15-25(23)29)28-13-8-20-6-4-5-7-27(20)33-28/h4-7,12,21-25,28H,8-11,13-18H2,1-3H3/t21?,22-,23?,24?,25?,28?,29-,30-/m0/s1
InChIKey BVOPASRHPPIETA-UJKYWIHJSA-N
Molecular Weight 448.647 g/mol
SMILES [C@@]12(C(=CCC2C2CCC3[C@@](C2CC1)(CC[C@](OC(=O)C)(C3)[H])C)C1Oc2ccccc2CC1)C
SPLASH splash10-0a4i-0902200000-2e9e81accf727305e2aa
Source of Spectrum F-54-7351-3
Wiley ID 807503