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8alpha-Hydroxylabda-13(16),14-dien-19-yl (Z)-4-hydroxy-cinnamate
SpectraBase Compound ID 7cUGIIFHS3B
InChI InChI=1S/C29H40O4/c1-6-21(2)8-14-25-28(4)18-7-17-27(3,24(28)16-19-29(25,5)32)20-33-26(31)15-11-22-9-12-23(30)13-10-22/h6,9-13,15,24-25,30,32H,1-2,7-8,14,16-20H2,3-5H3/b15-11-/t24-,25+,27+,28-,29+/m0/s1
InChIKey LXORINFASUBZBQ-DEYDKXAOSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xov1dsBp0x
Name 8alpha-Hydroxylabda-13(16),14-dien-19-yl (Z)-4-hydroxy-cinnamate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-6-21(2)8-14-25-28(4)18-7-17-27(3,24(28)16-19-29(25,5)32)20-33-26(31)15-11-22-9-12-23(30)13-10-22/h6,9-13,15,24-25,30,32H,1-2,7-8,14,16-20H2,3-5H3/b15-11-/t24-,25+,27+,28-,29+/m0/s1
InChIKey LXORINFASUBZBQ-DEYDKXAOSA-N
Molecular Weight 452.635 g/mol
SMILES Oc1ccc(\C=C/C(OC[C@@]2([C@@]3(CC[C@]([C@@]([C@]3(CCC2)C)(CCC(C=C)=C)[H])(O)C)[H])C)=O)cc1
SPLASH splash10-0002-0900000000-1929984d870a049fa399
Source of Spectrum QA-50-165-21
Synonyms ((1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylenepent-4-en-1-yl)decahydronaphthalen-1-yl)methyl (Z)-3-(4-hydroxyphenyl)acrylate
Wiley ID 1795716