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(1R,4S,6S,7S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-7-methyl-7-(4-methylpent-3-enyl)-3-oxabicyclo[4.1.0]heptane

View entire compound with spectra: 1 MS (GC)

(1R,4S,6S,7S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-7-methyl-7-(4-methylpent-3-enyl)-3-oxabicyclo[4.1.0]heptane
SpectraBase Compound ID 7fIPDAsEV3E
InChI InChI=1S/C27H40O3/c1-18(2)9-8-14-27(6)23-17-30-26(24(19(3)4)25(23)27)20(5)15-29-16-21-10-12-22(28-7)13-11-21/h9-13,20,23,25-26H,8,14-17H2,1-7H3/t20-,23+,25+,26-,27+/m0/s1
InChIKey RXPOWHUAHMAYKT-LSMDWJNFSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8TLGclIV6k
Name (1R,4S,6S,7S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-7-methyl-7-(4-methylpent-3-enyl)-3-oxabicyclo[4.1.0]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-18(2)9-8-14-27(6)23-17-30-26(24(19(3)4)25(23)27)20(5)15-29-16-21-10-12-22(28-7)13-11-21/h9-13,20,23,25-26H,8,14-17H2,1-7H3/t20-,23+,25+,26-,27+/m0/s1
InChIKey RXPOWHUAHMAYKT-LSMDWJNFSA-N
Literature Reference DOI 10.1021/ol101741f
Molecular Weight 412.614 g/mol
SMILES [C@]1([C@@]2([C@]1(CO[C@](C2=C(C)C)([C@@](C)(COCc1ccc(cc1)OC)[H])[H])[H])[H])(CCC=C(C)C)C
SPLASH splash10-00di-1920000000-90e6d8e4248d6556b201
Source of Spectrum A1-12-4144/SMS26-34
Synonyms (1R,4S,6S,7S)-4-((S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-7-(4-methylpent-3-en-1-yl)-5-(propan-2-ylidene)-3-oxabicyclo[4.1.0]heptane
Wiley ID 1752547