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4-{2-[(3aS,5R,6R,6aS)-5-Hydroxy-6-((E)-(S)-3-hydroxy-5-methyl-non-1-enyl)-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-ethyl}-benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-{2-[(3aS,5R,6R,6aS)-5-Hydroxy-6-((E)-(S)-3-hydroxy-5-methyl-non-1-enyl)-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-ethyl}-benzoic acid methyl ester
SpectraBase Compound ID ChAVRNCOu55
InChI InChI=1S/C28H40O4/c1-4-5-6-19(2)15-24(29)13-14-25-26-17-21(16-23(26)18-27(25)30)8-7-20-9-11-22(12-10-20)28(31)32-3/h9-14,16,19,23-27,29-30H,4-8,15,17-18H2,1-3H3/b14-13+/t19?,23-,24+,25+,26-,27+/m0/s1
InChIKey SRVABUWABJHIJM-ZDEBFIAOSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Is5hGbpRD
Name 4-{2-[(3aS,5R,6R,6aS)-5-Hydroxy-6-((E)-(S)-3-hydroxy-5-methyl-non-1-enyl)-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-ethyl}-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-4-5-6-19(2)15-24(29)13-14-25-26-17-21(16-23(26)18-27(25)30)8-7-20-9-11-22(12-10-20)28(31)32-3/h9-14,16,19,23-27,29-30H,4-8,15,17-18H2,1-3H3/b14-13+/t19?,23-,24+,25+,26-,27+/m0/s1
InChIKey SRVABUWABJHIJM-ZDEBFIAOSA-N
Molecular Weight 440.624 g/mol
SMILES O[C@](\C=C\[C@@]1([C@@]2([C@](C[C@]1(O)[H])(C=C(C2)CCc1ccc(C(=O)OC)cc1)[H])[H])[H])(CC(CCCC)C)[H]
SPLASH splash10-0f92-0943800000-335a1d2b4ffec9dff0be
Source of Spectrum F-51-5539-14
Synonyms (1S,5S,6R,7R)-7-Hydroxy-6-[(E,3S,4S)-3-hydroxy-5-methyl-1-nonenyl]-3-[2-(4-methoxycarbonylbenzyl)ethyl]bicyclo[3.3.0]-2-octene Methyl 4-(2-{(3aS,5R,6R,6aS)-5-hydroxy-6-[(1E,3S)-3-hydroxy-5-methyl-1-nonenyl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}ethyl)benzoate
Wiley ID 791933