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3beta-Hydroxy-17alpha-pregn-5-en-21,16alpha-carbolactone
SpectraBase Compound ID 6IkBfQjtf7n
InChI InChI=1S/C21H30O3/c1-20-7-5-13(22)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-18-17(21)11-19(23)24-18/h3,13-18,22H,4-11H2,1-2H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1
InChIKey JJIKGJPRPQHYDX-FNOULHJYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dk7qoPngUx
Name 3beta-Hydroxy-17alpha-pregn-5-en-21,16alpha-carbolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-20-7-5-13(22)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-18-17(21)11-19(23)24-18/h3,13-18,22H,4-11H2,1-2H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1
InChIKey JJIKGJPRPQHYDX-FNOULHJYSA-N
Literature Reference DOI 10.1002/cber.19801131215
Molecular Weight 330.468 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@@]1([C@]2(CC(O1)=O)[H])[H])[H])C)[H])[H])C)[H]
SPLASH splash10-052f-9742000000-e6419b899366433cf8dd
Source of Spectrum K-113-3833-2i
Synonyms (4S,6aR,6bS,8aS,8bS,11aR,12aS,12bS)-4-hydroxy-6a,8a-dimethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydro-10H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-one
Wiley ID 1792652