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8S,9S-7.beta.,11,12-Triacetoxydrimane isomer
SpectraBase Compound ID L31eifLa1r9
InChI InChI=1S/C21H34O6/c1-13(22)25-11-16-17(12-26-14(2)23)21(6)9-7-8-20(4,5)19(21)10-18(16)27-15(3)24/h16-19H,7-12H2,1-6H3/t16-,17+,18+,19?,21-/m1/s1
InChIKey HPRGSAMQBXMUAF-JITNJQOXSA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oMESOAnZ3f
Name 8S,9S-7.beta.,11,12-Triacetoxydrimane isomer
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Formula C21H34O6
InChI InChI=1S/C21H34O6/c1-13(22)25-11-16-17(12-26-14(2)23)21(6)9-7-8-20(4,5)19(21)10-18(16)27-15(3)24/h16-19H,7-12H2,1-6H3/t16-,17+,18+,19?,21-/m1/s1
InChIKey HPRGSAMQBXMUAF-JITNJQOXSA-N
Molecular Weight 382.497 g/mol
SMILES [C@]12(C(C[C@@]([C@@]([C@@]2(COC(=O)C)[H])(COC(=O)C)[H])(OC(=O)C)[H])C(C)(C)CCC1)C
SPLASH splash10-0ac9-9750000000-146ecb5a16cebd9acc32
Source of Spectrum F-51-1854-16
Synonyms Acetic acid (2S,3S,4S,4aS)-3,4-bis-acetoxymethyl-4a,8,8-trimethyl-decahydro-naphthalen-2-yl ester {(1S,2S,3S,4aS,8aS)-3-(acetyloxy)-1-[(acetyloxy)methyl]-5,5,8a-trimethyldecahydro-2-naphthalenyl}methyl acetate
Wiley ID 790882