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1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-

View entire compound with spectra: 3 MS (GC)

1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-
SpectraBase Compound ID GYW6Rriju3T
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15?,16-,17+,20-,21-/m0/s1
InChIKey GOECIRGMYVJNBS-MTURHBOBSA-N
Mol Weight 338.5 g/mol
Molecular Formula C21H38O3
Exact Mass 338.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53bI8AhzRvz
Name 1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-
CAS Registry Number 10267-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O3
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15?,16-,17+,20-,21-/m0/s1
InChIKey GOECIRGMYVJNBS-MTURHBOBSA-N
Molecular Weight 338.532 g/mol
SMILES O[C@@]1([C@@]([C@@]2([C@](C(C)(C)CCC2)(CC1)[H])C)(CCC(CC(=O)OC)C)[H])C
SPLASH splash10-05ic-0901000000-b8f8e78ade08f4d367f5
Source of Spectrum AN-82-792-6
Synonyms Labdan-15-oic acid, 8-hydroxy-, methyl ester, (8R,13S)- labdanolic acid, methyl ester [1R-[1.alpha(S*),2.beta.,4a.beta.,8a.alpha.]]- decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-1-naphthalene-pentanoic acid, methyl ester 1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S@),2.beta.,4a.beta.,8a.alpha.]]- Methyl (8R,13S)-8-hydropxy-labdan-15-oate Methyl (8R,13S)-8-hydroxy-labdan-15-oate Methyl 5-[(1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoate Methyl 8-hydroxylabdan-15-oate Methyl labdanolate Methyl labdanolatelabdanolic acid, methyl estermethyl (8R,13S)-8-hydropxy-labdan-15-oate[1R-[1.alpha(S*),2.beta.,4a.beta.,8a.alpha.]]- decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-1-naphthalene-pentanoic acid, methyl ester
Wiley ID 1334093