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(2S,4R,5R,7R)-5-(Benzoyloxy)-4-(3'-benzoyloxy-1'-octenyl)hexahydro-1(1H)-pentalenone

View entire compound with spectra: 1 MS (GC)

(2S,4R,5R,7R)-5-(Benzoyloxy)-4-(3'-benzoyloxy-1'-octenyl)hexahydro-1(1H)-pentalenone
SpectraBase Compound ID LG8LujtqYvV
InChI InChI=1S/C30H34O5/c1-2-3-6-15-25(34-29(32)21-11-7-4-8-12-21)16-17-26-27-20-24(31)18-23(27)19-28(26)35-30(33)22-13-9-5-10-14-22/h4-5,7-14,16-17,23,25-28H,2-3,6,15,18-20H2,1H3/b17-16+/t23-,25?,26+,27-,28+/m0/s1
InChIKey VFIOZYWTVBEDQH-DIOPVGKYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIqGcL4zxMT
Name (2S,4R,5R,7R)-5-(Benzoyloxy)-4-(3'-benzoyloxy-1'-octenyl)hexahydro-1(1H)-pentalenone
Alternate Name(s) (1R,2R,3aR,6aS)-1-[(1E)-3-(benzoyloxy)-1-octenyl]-5-oxooctahydro-2-pentalenyl benzoate 5-(Benzoyloxy)-4-(3'-benzoyloxy-1'-octenyl)hexahydro-1(1H)-pentalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-2-3-6-15-25(34-29(32)21-11-7-4-8-12-21)16-17-26-27-20-24(31)18-23(27)19-28(26)35-30(33)22-13-9-5-10-14-22/h4-5,7-14,16-17,23,25-28H,2-3,6,15,18-20H2,1H3/b17-16+/t23-,25?,26+,27-,28+/m0/s1
InChIKey VFIOZYWTVBEDQH-DIOPVGKYSA-N
Molecular Weight 474.597 g/mol
SMILES [C@]12([C@]([C@](OC(=O)c3ccccc3)(C[C@@]1(CC(C2)=O)[H])[H])(\C=C\C(OC(=O)c1ccccc1)CCCCC)[H])[H]
SPLASH splash10-0a4i-0900000000-205f57bc06c73152648a
Source of Spectrum U1-1998-821-7
Wiley ID 751255