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1-Naphthalenecarboxylic acid, 8-(acetyloxy)decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pent adienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(Z),8.beta.,8a.beta.]]-
SpectraBase Compound ID 95bck4WrOVy
InChI InChI=1S/C23H34O4/c1-8-15(2)10-11-18-16(3)14-19(27-17(4)24)20-22(18,5)12-9-13-23(20,6)21(25)26-7/h8,10,18-20H,1,3,9,11-14H2,2,4-7H3/b15-10-/t18-,19-,20+,22+,23-/m0/s1
InChIKey JMENQAVVDLRQNF-AJRLNIDISA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHMAJrT4leY
Name 1-Naphthalenecarboxylic acid, 8-(acetyloxy)decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pent adienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(Z),8.beta.,8a.beta.]]-
Alternate Name(s) Methyl (1S,4aR,5S,8S,8aR)-8-(acetyloxy)-1,4a-dimethyl-6-methylene-5-[(2Z)-3-methyl-2,4-pentadienyl]decahydro-1-naphthalenecarboxylate Methylester of (Z)-6.alpha.-acetoxylabda-8(17),12,14-trien-19-oic acid
CAS Registry Number 79003-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-8-15(2)10-11-18-16(3)14-19(27-17(4)24)20-22(18,5)12-9-13-23(20,6)21(25)26-7/h8,10,18-20H,1,3,9,11-14H2,2,4-7H3/b15-10-/t18-,19-,20+,22+,23-/m0/s1
InChIKey JMENQAVVDLRQNF-AJRLNIDISA-N
Molecular Weight 374.521 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)([C@@](OC(=O)C)(CC([C@@]1(C\C=C/(C=C)C)[H])=C)[H])[H])C
SPLASH splash10-0bta-0921000000-6c45cace2d037135e3b8
Source of Spectrum B-34-1077-0
Wiley ID 1356846