Chem
J-GLOBAL ID：200907035136770878   Nikkaji number：J710.371I

Gambogenic acid

ガンボゲン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C38H46O8
Molecular formula furigana： C38-H46-O8
Molecular weight： 630.778
InChI： InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1
InChI key： RCWNBHCZYXWDOV-VSFMGBBVSA-N
SMILES： CC(=CCC/C(=C/Cc1c(O)c(CC=C(C)C)c2O[C@@]34[C@H]5C[C@@H](C=C3C(=O)c2c1O)C(=O)[C@]4(C/C=C(/C)\C(=O)O)OC5(C)C)/C)C
Systematic name  (3)：
  • (Z)-2-メチル-4-[[(1R,12aS)-3aβ,4,5,7-テトラヒドロ-8,10-ジヒドロキシ-11-(3-メチル-2-ブテニル)-3,3-ジメチル-9-[(E)-3,7-ジメチル-2,6-オクタジエニル]-7,13-ジオキソ-1α,5α-メタノ-3H-フロ[3,4-d]キサンテン]-1-イル]-2-ブテン酸
  • (2Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-6,8-ジヒドロキシ-17,17-ジメチル-5-(3-メチルブタ-2-エン-1-イル)-10,14-ジオキソ-3,16-ジオキサペンタシクロ[11.4.1.02,11.02,15.04,9]オクタデカ-4,6,8,11-テトラエン-15-イル]-2-メチルブタ-2-エン酸
  • (2Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid
Other name (3)：
  • ガンボゲン酸
  • Gambogenic acid
  • (Z)-2-Methyl-4-[[(1R,12aS)-3aβ,4,5,7-tetrahydro-8,10-dihydroxy-11-(3-methyl-2-butenyl)-3,3-dimethyl-9-[(E)-3,7-dimethyl-2,6-octadienyl]-7,13-dioxo-1α,5α-methano-3H-furo[3,4-d]xanthen]-1-yl]-2-butenoic acid
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