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1-Naphthalenepentanoic acid, 2-(acetyloxy)decahydro-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-
SpectraBase Compound ID DYFX9zkZSRJ
InChI InChI=1S/C23H40O4/c1-16(15-20(25)26-7)9-10-19-22(5)13-8-12-21(3,4)18(22)11-14-23(19,6)27-17(2)24/h16,18-19H,8-15H2,1-7H3/t16?,18-,19+,22-,23-/m0/s1
InChIKey YNPBDPNRISRTMD-GYCLQHHDSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkyhFTpRs2A
Name 1-Naphthalenepentanoic acid, 2-(acetyloxy)decahydro-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-
CAS Registry Number 108888-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-16(15-20(25)26-7)9-10-19-22(5)13-8-12-21(3,4)18(22)11-14-23(19,6)27-17(2)24/h16,18-19H,8-15H2,1-7H3/t16?,18-,19+,22-,23-/m0/s1
InChIKey YNPBDPNRISRTMD-GYCLQHHDSA-N
Molecular Weight 380.569 g/mol
SMILES [C@@]12([C@]([C@](OC(=O)C)(C)CC[C@]2(C(C)(C)CCC1)[H])(CCC(CC(=O)OC)C)[H])C
SPLASH splash10-00xr-3901000000-65c6d971bda2fdd20ee6
Source of Spectrum F-42-4570-5
Synonyms Methyl 5-[(1R,2S,4aS,8aS)-2-(acetyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoate Methyl 8-acetoxy-labdan-15-oate
Wiley ID 1359890