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(5-alpha,15-alpha,17-beta)-15,17-dihydroxy-1-methylandrostane-1-ene-3-one
SpectraBase Compound ID 7r5GMU1lSVa
InChI InChI=1S/C20H30O3/c1-11-8-13(21)9-12-4-5-14-15(20(11,12)3)6-7-19(2)17(23)10-16(22)18(14)19/h8,12,14-18,22-23H,4-7,9-10H2,1-3H3/t12-,14+,15-,16-,17-,18+,19+,20-/m0/s1
InChIKey NBFWZKYVWHMRKD-RKYXGNRTSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C16rz9Or94K
Name (5-alpha,15-alpha,17-beta)-15,17-dihydroxy-1-methylandrostane-1-ene-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-11-8-13(21)9-12-4-5-14-15(20(11,12)3)6-7-19(2)17(23)10-16(22)18(14)19/h8,12,14-18,22-23H,4-7,9-10H2,1-3H3/t12-,14+,15-,16-,17-,18+,19+,20-/m0/s1
InChIKey NBFWZKYVWHMRKD-RKYXGNRTSA-N
Literature Reference DOI 10.1002/cbdv.200590019
Molecular Weight 318.457 g/mol
SMILES O[C@]1(C[C@@]([C@]2(CC[C@@]3([C@]4(C(=CC(C[C@@]4(CC[C@]3([C@]12[H])[H])[H])=O)C)C)[H])C)(O)[H])[H]
SPLASH splash10-0ab9-7900000000-2ae88fa3d81c030848b6
Source of Spectrum CBD-2-399-10
Synonyms (5S,8R,9S,10S,13S,14S,15S,17S)-15,17-dihydroxy-1,10,13-trimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1792470