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Hemidesmusesterterpenoic ester
SpectraBase Compound ID NIIW3wLFCn
InChI InChI=1S/C34H58O4/c1-8-9-10-11-12-13-14-26-38-32(36)29(4)20-17-25-34(7,37)24-15-18-27(2)21-22-30(35)31-28(3)19-16-23-33(31,5)6/h13-14,16,19,27,29,37H,8-12,15,17-18,20-26H2,1-7H3/b14-13+/t27?,29?,34-/m1/s1
InChIKey LGSBMPVBUGKTMQ-QTQGYIAKSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H58O4
Exact Mass 530.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gnqs2tZSG0
Name Hemidesmusesterterpenoic ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H58O4
InChI InChI=1S/C34H58O4/c1-8-9-10-11-12-13-14-26-38-32(36)29(4)20-17-25-34(7,37)24-15-18-27(2)21-22-30(35)31-28(3)19-16-23-33(31,5)6/h13-14,16,19,27,29,37H,8-12,15,17-18,20-26H2,1-7H3/b14-13+/t27?,29?,34-/m1/s1
InChIKey LGSBMPVBUGKTMQ-QTQGYIAKSA-N
Molecular Weight 530.834 g/mol
SMILES O[C@](CCCC(CCC(C1=C(C=CCC1(C)C)C)=O)C)(CCCC(C(OC\C=C\CCCCCC)=O)C)C
SPLASH splash10-05ad-9631000000-0717eb74dde2b003df25
Source of Spectrum Y1-41B-2394-5
Synonyms (6R)-(E)-non-2-en-1-yl 6-hydroxy-2,6,10-trimethyl-13-oxo-13-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)tridecanoate
Wiley ID 1744115