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(2-beta,3a-alpha,3b-beta,5-alpha,6a-beta,7a-alpha)-2,5-Diacetoxy-6a-(acetoxy-methyl)-decahydro-3a-hydroxy-4,4-dimethyl-3-methylidene-3aH-cyclopenta[a]pentalene
SpectraBase Compound ID DLJ8MaMwFK1
InChI InChI=1S/C21H30O7/c1-11-16(27-13(3)23)7-15-8-20(10-26-12(2)22)9-17(28-14(4)24)19(5,6)18(20)21(11,15)25/h15-18,25H,1,7-10H2,2-6H3/t15-,16-,17-,18-,20+,21+/m0/s1
InChIKey ODEOFUNFEJWSNS-HRFMKDBOSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Vo8dmx9Lma
Name (2-beta,3a-alpha,3b-beta,5-alpha,6a-beta,7a-alpha)-2,5-Diacetoxy-6a-(acetoxy-methyl)-decahydro-3a-hydroxy-4,4-dimethyl-3-methylidene-3aH-cyclopenta[a]pentalene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-11-16(27-13(3)23)7-15-8-20(10-26-12(2)22)9-17(28-14(4)24)19(5,6)18(20)21(11,15)25/h15-18,25H,1,7-10H2,2-6H3/t15-,16-,17-,18-,20+,21+/m0/s1
InChIKey ODEOFUNFEJWSNS-HRFMKDBOSA-N
Literature Reference DOI 10.1002/cbdv.200890157
Molecular Weight 394.464 g/mol
SMILES O[C@@]12[C@@]3([C@@](COC(C)=O)(C[C@@](C3(C)C)(OC(C)=O)[H])C[C@@]1(C[C@](OC(C)=O)(C2=C)[H])[H])[H]
SPLASH splash10-0596-6950000000-b6b98d70126b700fc4c6
Source of Spectrum CBD-5-1689-1
Synonyms 2-Alpha,8-beta,13-Triacetoxycapnell-9(12)-ene-10-alpha-ol (2S,3aR,3bR,5S,6aR,7aS)-7a-(acetoxymethyl)-3b-hydroxy-3,3-dimethyl-4-methylenedecahydro-1H-cyclopenta[a]pentalene-2,5-diyl diacetate
Wiley ID 1790363