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1-Naphthaleneacetic acid, decahydro-5,5,8a-trimethyl-2-methylene-7-oxo-, methyl ester, (1S,4aS,8aS)-
SpectraBase Compound ID 6C70zO4fVqz
InChI InChI=1S/C17H26O3/c1-11-6-7-14-16(2,3)9-12(18)10-17(14,4)13(11)8-15(19)20-5/h13-14H,1,6-10H2,2-5H3/t13-,14-,17+/m0/s1
InChIKey XKKNJSCXTDTCCX-GRDNDAEWSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lSYdX87wQ4
Name 1-Naphthaleneacetic acid, decahydro-5,5,8a-trimethyl-2-methylene-7-oxo-, methyl ester, (1S,4aS,8aS)-
CAS Registry Number 29065-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-11-6-7-14-16(2,3)9-12(18)10-17(14,4)13(11)8-15(19)20-5/h13-14H,1,6-10H2,2-5H3/t13-,14-,17+/m0/s1
InChIKey XKKNJSCXTDTCCX-GRDNDAEWSA-N
Molecular Weight 278.392 g/mol
SMILES [C@@]12([C@](C(=C)CC[C@]2(C(C)(C)CC(C1)=O)[H])(CC(=O)OC)[H])C
SPLASH splash10-0w29-0890000000-e6971692cdb9c4fdd849
Source of Spectrum B-42-1123-18
Synonyms 1-Naphthaleneacetic acid, decahydro-5,5,8a-trimethyl-2-methylene-7-oxo-, methyl ester, [1S-(1.alpha.,4a.beta.,8a.alpha.)]- Methyl 2-oxo-13,14,15,16-tetranorlabdan-8(17)-en-12-oate Methyl[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-7-oxodecahydro-1-naphthalenyl]acetate
Wiley ID 1282284