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Acetic acid, hydroxy[octahydro-2-(1-hydroxy-3-methyl-2-oxobutylidene)-5,5,8a-trimethyl-1(2H)-naphthalenylidene]-, methyl ester, (4aS-trans)-
SpectraBase Compound ID 1fWM07yvz2Q
InChI InChI=1S/C21H32O5/c1-12(2)16(22)17(23)13-8-9-14-20(3,4)10-7-11-21(14,5)15(13)18(24)19(25)26-6/h12,14,23-24H,7-11H2,1-6H3/b17-13-,18-15+/t14-,21-/m0/s1
InChIKey OZOMKAHHILLACL-NHOVPNDZSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP4mFkg4fUR
Name Acetic acid, hydroxy[octahydro-2-(1-hydroxy-3-methyl-2-oxobutylidene)-5,5,8a-trimethyl-1(2H)-naphthalenylidene]-, methyl ester, (4aS-trans)-
CAS Registry Number 124313-82-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-12(2)16(22)17(23)13-8-9-14-20(3,4)10-7-11-21(14,5)15(13)18(24)19(25)26-6/h12,14,23-24H,7-11H2,1-6H3/b17-13-,18-15+/t14-,21-/m0/s1
InChIKey OZOMKAHHILLACL-NHOVPNDZSA-N
Molecular Weight 364.482 g/mol
SMILES O\C(=C/1\C(=C/(C(=O)OC)O)[C@@]2([C@@](CC1)(C(CCC2)(C)C)[H])C)C(=O)C(C)C
SPLASH splash10-01vo-9141000000-5b08d24ebd9322c37a59
Source of Spectrum F-45-1571-6
Synonyms 5,8a-dimethyl-2-(1-hydroxy-2-methoxy-2-oxyethylidene)-3-(1-hydroxy-3-methyl-2-oxybutylidene)-trans-decalin Methyl (2Z)-((2Z,4aS,8aS)-2-(1-hydroxy-3-methyl-2-oxobutylidene)-5,5,8a-trimethyloctahydro-1(2H)-naphthalenylidene)(hydroxy)ethanoate Methyl 11,14-dihydroxy-13-oxo-12,13-seco-8(14),9(11)-abietadien-12-oate
Wiley ID 1350911