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3beta-Acetoxy-5,17(20)-pregnadiene-21,16alpha-carbolactone
SpectraBase Compound ID CDiOuQReD34
InChI InChI=1S/C23H30O4/c1-13(24)26-15-6-8-22(2)14(10-15)4-5-16-17(22)7-9-23(3)18(16)11-20-19(23)12-21(25)27-20/h4,12,15-18,20H,5-11H2,1-3H3/t15-,16+,17-,18-,20+,22-,23-/m0/s1
InChIKey PTVGVEHIQJZWSZ-CEPNRSCBSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LG3cZJUGs6D
Name 3beta-Acetoxy-5,17(20)-pregnadiene-21,16alpha-carbolactone
Alternate Name(s) (4S,6aR,6bS,8aS,11aR,12aS,12bR)-6a,8a-dimethyl-10-oxo-3,4,5,6,6a,6b,7,8,8a,10,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-13(24)26-15-6-8-22(2)14(10-15)4-5-16-17(22)7-9-23(3)18(16)11-20-19(23)12-21(25)27-20/h4,12,15-18,20H,5-11H2,1-3H3/t15-,16+,17-,18-,20+,22-,23-/m0/s1
InChIKey PTVGVEHIQJZWSZ-CEPNRSCBSA-N
Literature Reference DOI 10.1002/cber.19801131215
Molecular Weight 370.489 g/mol
SMILES C1C[C@]2(C(C[C@]1(OC(C)=O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@@]1(C2=CC(O1)=O)[H])[H])C)[H])[H])C
SPLASH splash10-01ox-9613000000-2d0552fba05147631fe2
Source of Spectrum K-113-3832-4
Wiley ID 1792656