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4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
SpectraBase Compound ID 2rV6ESpqgck
InChI InChI=1S/C24H28O8/c1-12-10-22-11-23(12,31-14(3)26)8-6-15(22)24-9-7-16(30-13(2)25)21(4,20(28)32-24)18(24)17(22)19(27)29-5/h7,9,15-18H,1,6,8,10-11H2,2-5H3/t15-,16+,17-,18-,21-,22?,23?,24+/m1/s1
InChIKey IIIWPXACKNAFED-SBYIWTPVSA-N
Mol Weight 444.48 g/mol
Molecular Formula C24H28O8
Exact Mass 444.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZzPVCT36rm
Name 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
Alternate Name(s) 4a.alpha.,4b.beta.-Gibb-3-ene-1.alpha.,10.beta.-dicarboxylic acid, 2.beta.,4.alpha.,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, diacetate Gibb-3-ene-1,10-dicarboxylic acid, 2,7-bis(acetyloxy)-4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)- Gibberellic acid, methyl ester, diacetate ent-3,13-diacetoxy-10-hydroxy-20-norgibberell-1,16-diene-7,19-dioic acid 7-methyl ester-19,10-lactone Methyl (1S,2R,9S,10R,11S,12S)-5,12-bis(acetyloxy)-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate Methyl 3,13-diacetylgibberellate
CAS Registry Number 5362-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O8
InChI InChI=1S/C24H28O8/c1-12-10-22-11-23(12,31-14(3)26)8-6-15(22)24-9-7-16(30-13(2)25)21(4,20(28)32-24)18(24)17(22)19(27)29-5/h7,9,15-18H,1,6,8,10-11H2,2-5H3/t15-,16+,17-,18-,21-,22?,23?,24+/m1/s1
InChIKey IIIWPXACKNAFED-SBYIWTPVSA-N
Molecular Weight 444.480 g/mol
SMILES [C@@]123[C@@]([C@](C)(C(O3)=O)[C@](C=C1)(OC(=O)C)[H])([C@](C(=O)OC)(C13[C@]2(CCC(OC(=O)C)(C3)C(C1)=C)[H])[H])[H]
SPLASH splash10-007o-7092100000-d44d615ede8804cf1e53
Source of Spectrum KC-1986-311-11
Wiley ID 1385981