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3,4a,6,8-Tetramethyl-7-[(4"-(acetoxy)oct-2'-enoyl)oxy]-4-(acetoxy)-(perhydro)-pyrano[2,3-b]pyran-2-one
SpectraBase Compound ID 45Zbn2IAqUB
InChI InChI=1S/C24H36O9/c1-8-9-10-18(29-16(5)25)11-12-19(27)31-20-13(2)21-24(7,33-15(20)4)22(30-17(6)26)14(3)23(28)32-21/h11-15,18,20-22H,8-10H2,1-7H3/b12-11+/t13-,14?,15+,18+,20?,21?,22+,24?/m1/s1
InChIKey KVLRCXOYSZXNBQ-QOVBILNCSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H36O9
Exact Mass 468.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f6BASaPeHq
Name 3,4a,6,8-Tetramethyl-7-[(4"-(acetoxy)oct-2'-enoyl)oxy]-4-(acetoxy)-(perhydro)-pyrano[2,3-b]pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O9
InChI InChI=1S/C24H36O9/c1-8-9-10-18(29-16(5)25)11-12-19(27)31-20-13(2)21-24(7,33-15(20)4)22(30-17(6)26)14(3)23(28)32-21/h11-15,18,20-22H,8-10H2,1-7H3/b12-11+/t13-,14?,15+,18+,20?,21?,22+,24?/m1/s1
InChIKey KVLRCXOYSZXNBQ-QOVBILNCSA-N
Molecular Weight 468.543 g/mol
SMILES C12(C(OC(C([C@@]2(OC(=O)C)[H])C)=O)[C@@](C(OC(\C=C\[C@@](OC(=O)C)(CCCC)[H])=O)[C@@](O1)(C)[H])(C)[H])C
SPLASH splash10-01bd-4940000000-52ed150d619429feaab4
Source of Spectrum G4-69-724-5a
Synonyms Diacetyl-botchinin E
Wiley ID 1694343