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2-Pentenoic acid, 5-[decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,5.alpha.,8a.alpha.]]-
SpectraBase Compound ID 4uJPMfIWPtJ
InChI InChI=1S/C21H34O3/c1-15(13-19(23)24-5)7-9-17-16(2)8-10-18-20(3,14-22)11-6-12-21(17,18)4/h13,17-18,22H,2,6-12,14H2,1,3-5H3/b15-13+
InChIKey BJANWPXNKOLWEW-FYWRMAATSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3nG17YGOm0
Name 2-Pentenoic acid, 5-[decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,5.alpha.,8a.alpha.]]-
CAS Registry Number 1757-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-15(13-19(23)24-5)7-9-17-16(2)8-10-18-20(3,14-22)11-6-12-21(17,18)4/h13,17-18,22H,2,6-12,14H2,1,3-5H3/b15-13+
InChIKey BJANWPXNKOLWEW-FYWRMAATSA-N
Molecular Weight 334.500 g/mol
SMILES OCC1(C2CCC(C(CC\C(=C\C(OC)=O)C)C2(CCC1)C)=C)C
SPLASH splash10-11b9-5921000000-2ebc3643454471b82af1
Source of Spectrum N-23-387-27
Synonyms Methyl (2E)-5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate (E)-5-(5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl)-3-methyl-pent-2-enoic acid methyl ester (E)-5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenoic acid methyl ester Labda-8(20),13-dien-15-oic acid, 19-hydroxy-, methyl ester, (E)- Methyl (E)-5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoate Methyl (E)-5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoate
Wiley ID 1331298