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4H-1,4:8,10a-Dimethanoazuleno[1,2-d]oxepin, gibb-4-ene-1,10-dicarboxylic acid deriv.
SpectraBase Compound ID BpCBb6LA2z3
InChI InChI=1S/C20H24O5/c1-9-6-20-7-10(9)4-5-12(20)11-8-18(2)16(23)19(3,17(24)25-18)13(11)14(20)15(21)22/h8,10,12-14,16,23H,1,4-7H2,2-3H3,(H,21,22)/t10?,12?,13?,14-,16-,18+,19+,20?/m1/s1
InChIKey ICIRWJMKKCCTFM-OACOOFLDSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID P9f3RKMKjw
Name 4H-1,4:8,10a-Dimethanoazuleno[1,2-d]oxepin, gibb-4-ene-1,10-dicarboxylic acid deriv.
Alternate Name(s) Gibb-4-ene-1,10-dicarboxylic acid, 2,3-dihydroxy-1,3-dimethyl-8-methylene-, .gamma.-lactone, (1.alpha.,2.beta.,3.alpha.,4b.beta.,10.beta.)- (2S,4S,7S,17S)-17-hydroxy-4,7-dimethyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1(4,7).0(1,10).0(3,9)]heptadec-8-ene-2-carboxylic acid ent-2.beta.,3.alpha.,-dihydroxy-2.alpha.-methyl-20-norgibberella-1(10),16-diene-7,19-dioic acid 19,2-lactone
CAS Registry Number 121709-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-9-6-20-7-10(9)4-5-12(20)11-8-18(2)16(23)19(3,17(24)25-18)13(11)14(20)15(21)22/h8,10,12-14,16,23H,1,4-7H2,2-3H3,(H,21,22)/t10?,12?,13?,14-,16-,18+,19+,20?/m1/s1
InChIKey ICIRWJMKKCCTFM-OACOOFLDSA-N
Molecular Weight 344.407 g/mol
SMILES OC([C@]1(C2C(=C[C@]3([C@]([C@]2(C(O3)=O)C)(O)[H])C)C2CCC3C(CC12C3)=C)[H])=O
SPLASH splash10-001u-2291000000-921f328a2ba9e65cc003
Source of Spectrum KC-1988-1990-60
Wiley ID 1338020