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2(1H)-Naphthalenone, 6-[3-acetyl-2-(hydroxymethyl)-2-methylcyclopentyl]octahydro-5-hydroxy-4a-methyl-, [4aS-[4a.alpha.,5.alpha.,6.beta.(1R*,2R*,3R*),8a.beta.]]-
SpectraBase Compound ID A9bALeS0Nv9
InChI InChI=1S/C20H32O4/c1-12(22)16-6-7-17(20(16,3)11-21)15-5-4-13-10-14(23)8-9-19(13,2)18(15)24/h13,15-18,21,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+/m0/s1
InChIKey OFEAFBRHTMPERC-OSWKXKNPSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hflTdGSVVd
Name 2(1H)-Naphthalenone, 6-[3-acetyl-2-(hydroxymethyl)-2-methylcyclopentyl]octahydro-5-hydroxy-4a-methyl-, [4aS-[4a.alpha.,5.alpha.,6.beta.(1R*,2R*,3R*),8a.beta.]]-
CAS Registry Number 97762-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(22)16-6-7-17(20(16,3)11-21)15-5-4-13-10-14(23)8-9-19(13,2)18(15)24/h13,15-18,21,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+/m0/s1
InChIKey OFEAFBRHTMPERC-OSWKXKNPSA-N
Molecular Weight 336.472 g/mol
SMILES OC[C@]1([C@]([C@]2([C@@]([C@@]3([C@@](CC2)(CC(CC3)=O)[H])C)(O)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0002-9003000000-4caa8595b652f737d45c
Source of Spectrum KC-1986-2292-5
Synonyms (4aS,5S,6S,8aS)-6-[(1S,2S,3S)-3-acetyl-2-(hydroxymethyl)-2-methylcyclopentyl]-5-hydroxy-4a-methyloctahydro-2(1H)-naphthalenone 9.beta.,11-dihydroxy-c-nor-9,11-seco-5.alpha.-pregnane-3,20-dione
Wiley ID 1332569