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Cyclobuta[a]phenanthrene, D-norandrostan-16-ol deriv.
SpectraBase Compound ID 6xIfSvga705
InChI InChI=1S/C20H32O2/c1-13(21)22-18-12-17-15-8-7-14-6-4-5-10-19(14,2)16(15)9-11-20(17,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey XAOVBSUUZIWGKX-PAPWGAKMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHUmSTAnZ31
Name Cyclobuta[a]phenanthrene, D-norandrostan-16-ol deriv.
Alternate Name(s) D-Norandrostan-16-ol, acetate, (5.alpha.,13.alpha.,16.beta.)- (1S,2aS,2bR,4aR,8aS,8bS,10aS)-8a,10a-dimethylhexadecahydrocyclobuta[a]phenanthren-1-yl acetate 17-nor-5.alpha.,13.alpha.-androstan-16.beta.-yl acetate
CAS Registry Number 112344-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-13(21)22-18-12-17-15-8-7-14-6-4-5-10-19(14,2)16(15)9-11-20(17,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey XAOVBSUUZIWGKX-PAPWGAKMSA-N
Molecular Weight 304.474 g/mol
SMILES [C@@]12([C@@](CC[C@]3([C@]2(CC[C@]2(CCCC[C@]32C)[H])[H])[H])(C)[C@](C1)(OC(=O)C)[H])[H]
SPLASH splash10-066r-0980000000-234b4cab4d4dac6a5d19
Source of Spectrum KC-1987-1252-24
Wiley ID 1306925