5-Acetyloxy-6-[3'-(acetyloxy)-1'-octenyl]-1,3a,4,5,66a-hexahydro-2-pentalenepentalenol

SpectraBase Compound ID	5uCvykLQ11A
InChI	InChI=1S/C25H40O5/c1-4-5-7-11-22(29-18(2)27)12-13-23-24-16-20(10-8-6-9-14-26)15-21(24)17-25(23)30-19(3)28/h12-13,15,21-26H,4-11,14,16-17H2,1-3H3/b13-12+/t21-,22-,23+,24-,25+/m0/s1
InChIKey	LMAPPECJZWWTDU-YRKDSXQXSA-N Google Search
Mol Weight	420.6 g/mol
Molecular Formula	C25H40O5
Exact Mass	420.287574 g/mol

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SpectraBase Spectrum ID	EwWwNPByUrp
Name	5-Acetyloxy-6-[3'-(acetyloxy)-1'-octenyl]-1,3a,4,5,66a-hexahydro-2-pentalenepentalenol
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40O5
InChI	InChI=1S/C25H40O5/c1-4-5-7-11-22(29-18(2)27)12-13-23-24-16-20(10-8-6-9-14-26)15-21(24)17-25(23)30-19(3)28/h12-13,15,21-26H,4-11,14,16-17H2,1-3H3/b13-12+/t21-,22-,23+,24-,25+/m0/s1
InChIKey	LMAPPECJZWWTDU-YRKDSXQXSA-N
Molecular Weight	420.590 g/mol
SMILES	OCCCCCC1=C[C@@]2([C@@]([C@@](\C=C\[C@@](OC(=O)C)(CCCCC)[H])([C@@](C2)(OC(=O)C)[H])[H])(C1)[H])[H]
SPLASH	splash10-0006-9201000000-ee22d207cae5ef98f885
Source of Spectrum	U1-1998-1333-43
Synonyms	(3aS,5R,6R,6aS)-5-Acetyloxy-6-[(S)-3'-(acetyloxy)-1'-octenyl]-1,3a,4,5,6,6a-hexahydro-2-pentalenepentalenol Acetic acid [(2R,3R,3aS,6aS)-3-[(E,3S)-3-acetyloxyoct-1-enyl]-5-(5-hydroxypentyl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl] ester [(2R,3R,3aS,6aS)-3-[(E,3S)-3-acetyloxyoct-1-enyl]-5-(5-hydroxypentyl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl] acetate [(2R,3R,3aS,6aS)-3-[(E,3S)-3-acetoxyoct-1-enyl]-5-(5-hydroxypentyl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl] acetate [(2R,3R,3aS,6aS)-3-[(E,3S)-3-acetyloxyoct-1-enyl]-5-(5-oxidanylpentyl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl] ethanoate
Wiley ID	751288