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17-Norkaurane-2,2-D2-13-carboxylic acid, 3-oxo-, (8.beta.,13.beta.)-
SpectraBase Compound ID BxjPAbboy5v
InChI InChI=1S/C20H30O3/c1-17(2)13-4-8-19-10-11-20(12-19,16(22)23)9-5-14(19)18(13,3)7-6-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14+,18-,19-,20+/m0/s1/i6D2
InChIKey SPYJOXFPCRCVAJ-GHTMWDAESA-N
Mol Weight 320.47 g/mol
Molecular Formula C20H282D2O3
Exact Mass 320.232048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Wv0O3PLYcJ
Name 17-Norkaurane-2,2-D2-13-carboxylic acid, 3-oxo-, (8.beta.,13.beta.)-
CAS Registry Number 70474-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28D2O3
InChI InChI=1S/C20H30O3/c1-17(2)13-4-8-19-10-11-20(12-19,16(22)23)9-5-14(19)18(13,3)7-6-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14+,18-,19-,20+/m0/s1/i6D2
InChIKey SPYJOXFPCRCVAJ-GHTMWDAESA-N
Molecular Weight 320.469 g/mol
SMILES OC([C@]12CC[C@]3([C@@](C2)(CC[C@@]2([C@@]3(CC(C(=O)C2(C)C)([2D])[2D])C)[H])CC1)[H])=O
SPLASH splash10-0089-0192000000-6fc2dfa09f4048bb9f85
Source of Spectrum F-1978-3340-0
Synonyms 1H-2,10a-ethanophenanthrene, 17-norkaurane-2,2-D2-13-carboxylic acid deriv. ent-2-D2-3-ketobeyeran-17-oic acid
Wiley ID 1318863