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6.alpha.,7.beta.-diacetoxy-13Z-kolavenic acid
SpectraBase Compound ID Ec6VzwhTvXl
InChI InChI=1S/C24H36O6/c1-14(13-20(27)28)11-12-23(6)16(3)21(29-17(4)25)22(30-18(5)26)24(7)15(2)9-8-10-19(23)24/h9,13,16,19,21-22H,8,10-12H2,1-7H3,(H,27,28)/b14-13-/t16-,19-,21-,22+,23+,24+/m1/s1
InChIKey MEYMLQXJGDOBCS-KSYFGCDNSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN64FwFHjOb
Name 6.alpha.,7.beta.-diacetoxy-13Z-kolavenic acid
Alternate Name(s) (2Z)-5-[(1R,2S,3R,4R,4aR,8aR)-3,4-bis(acetyloxy)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-14(13-20(27)28)11-12-23(6)16(3)21(29-17(4)25)22(30-18(5)26)24(7)15(2)9-8-10-19(23)24/h9,13,16,19,21-22H,8,10-12H2,1-7H3,(H,27,28)/b14-13-/t16-,19-,21-,22+,23+,24+/m1/s1
InChIKey MEYMLQXJGDOBCS-KSYFGCDNSA-N
Molecular Weight 420.546 g/mol
SMILES OC(\C=C/(CC[C@@]1([C@@]2([C@@]([C@]([C@](OC(=O)C)([C@]1(C)[H])[H])(OC(=O)C)[H])(C(=CCC2)C)C)[H])C)C)=O
SPLASH splash10-0f79-0944000000-8083a43ae77a93f06bdb
Source of Spectrum F-41-5356-12
Wiley ID 1378013