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2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1.alpha.,1(Z),3a.beta.,5.alpha.,11.beta.,14aS*]]-

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2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1.alpha.,1(Z),3a.beta.,5.alpha.,11.beta.,14aS*]]-
SpectraBase Compound ID F4rieoRlYDA
InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13+/t23-,27+,36?,37+,38-/m1/s1
InChIKey GEZHEQNLKAOMCA-CFKJSVEWSA-N
Mol Weight 628.8 g/mol
Molecular Formula C38H44O8
Exact Mass 628.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4beXPlHAx6
Name 2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1.alpha.,1(Z),3a.beta.,5.alpha.,11.beta.,14aS*]]-
Alternate Name(s) .beta.-Guttiferin 1,5-Methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-.alpha.,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)- 2-Butenoic acid, 2-methyl-4-*3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-meth B''-Guttiferin Cambogic acid Gambogic acid
CAS Registry Number 2752-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44O8
InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13+/t23-,27+,36?,37+,38-/m1/s1
InChIKey GEZHEQNLKAOMCA-CFKJSVEWSA-N
Molecular Weight 628.762 g/mol
SMILES Oc1c2C=CC(Oc2c(c2c1C(C1=C[C@@]3(C[C@]4(C(O[C@](C\C=C\(C(O)=O)C)([C@@]14O2)C3=O)(C)C)[H])[H])=O)CC=C(C)C)(CCC=C(C)C)C
SPLASH splash10-00mk-3243495000-e1c4b7a150914ca45739
Source of Spectrum W5-38026-27510-27510
Wiley ID 1412012