For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,7-Dioxabicyclo[3.2.1]octan-3-one, 4,6-bis(acetyloxy)-8-(decahydro-1,4,4-trimethyl-8-methylene-1-azulenyl)-, [1.alpha.,4.beta.,5.alpha.,6.alpha.,8S*(1S*,3aS*,8aR*)]-(-)-

View entire compound with spectra: 1 MS (GC)

2,7-Dioxabicyclo[3.2.1]octan-3-one, 4,6-bis(acetyloxy)-8-(decahydro-1,4,4-trimethyl-8-methylene-1-azulenyl)-, [1.alpha.,4.beta.,5.alpha.,6.alpha.,8S*(1S*,3aS*,8aR*)]-(-)-
SpectraBase Compound ID HgSKR1WxusA
InChI InChI=1S/C24H34O7/c1-12-8-7-10-23(4,5)15-9-11-24(6,17(12)15)18-16-19(28-13(2)25)20(27)30-22(18)31-21(16)29-14(3)26/h15-19,21-22H,1,7-11H2,2-6H3/t15-,16-,17-,18+,19+,21+,22+,24?/m0/s1
InChIKey BPRCBAVNJUVNFL-CBCXQXFKSA-N
Mol Weight 434.5 g/mol
Molecular Formula C24H34O7
Exact Mass 434.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FZ7bQREdzOi
Name 2,7-Dioxabicyclo[3.2.1]octan-3-one, 4,6-bis(acetyloxy)-8-(decahydro-1,4,4-trimethyl-8-methylene-1-azulenyl)-, [1.alpha.,4.beta.,5.alpha.,6.alpha.,8S*(1S*,3aS*,8aR*)]-(-)-
Alternate Name(s) (1S,4R,5S,6S,8S)-8-[(3aS,8aR)-1,4,4-trimethyl-8-methylenedecahydro-1-azulenyl]-4-(acetyloxy)-3-oxo-2,7-dioxabicyclo[3.2.1]oct-6-yl acetate Aplyviolacene Macfarlandin E
CAS Registry Number 104311-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O7
InChI InChI=1S/C24H34O7/c1-12-8-7-10-23(4,5)15-9-11-24(6,17(12)15)18-16-19(28-13(2)25)20(27)30-22(18)31-21(16)29-14(3)26/h15-19,21-22H,1,7-11H2,2-6H3/t15-,16-,17-,18+,19+,21+,22+,24?/m0/s1
InChIKey BPRCBAVNJUVNFL-CBCXQXFKSA-N
Molecular Weight 434.529 g/mol
SMILES [C@]12([C@@](C3([C@@]4([C@](C(CCCC4=C)(C)C)([H])CC3)[H])C)([C@@]([H])(O[C@]1(OC(=O)C)[H])OC([C@@]2(OC(=O)C)[H])=O)[H])[H]
SPLASH splash10-000i-0901000000-4c789c5a5bec03e6edc3
Source of Spectrum J-53-4806-1
Wiley ID 1382962