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(1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene
SpectraBase Compound ID DyXhRReXXy
InChI InChI=1S/C26H36O4/c1-4-5-11-26(2,29)12-7-10-22-23-16-19(15-21(23)17-24(22)27)13-18-8-6-9-20(14-18)25(28)30-3/h6-10,14-15,21-24,27,29H,4-5,11-13,16-17H2,1-3H3/b10-7+/t21-,22+,23-,24+,26?/m0/s1
InChIKey LRKFFMVSODLHEN-YASMVOFUSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z0b19ddMRO
Name (1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene
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Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-4-5-11-26(2,29)12-7-10-22-23-16-19(15-21(23)17-24(22)27)13-18-8-6-9-20(14-18)25(28)30-3/h6-10,14-15,21-24,27,29H,4-5,11-13,16-17H2,1-3H3/b10-7+/t21-,22+,23-,24+,26?/m0/s1
InChIKey LRKFFMVSODLHEN-YASMVOFUSA-N
Molecular Weight 412.570 g/mol
SMILES OC(C\C=C\[C@@]1([C@@]2([C@](C[C@]1(O)[H])(C=C(C2)Cc1cc(C(=O)OC)ccc1)[H])[H])[H])(CCCC)C
SPLASH splash10-0006-0093000000-78a009f51de475e9d4ef
Source of Spectrum F-51-5538-9
Synonyms (1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-ocytenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene Methyl 3-({(3aS,5R,6R,6aS)-5-hydroxy-6-[(1E)-4-hydroxy-4-methyl-1-octenyl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}methyl)benzoate
Wiley ID 791935