Chem
J-GLOBAL ID：200907029710644207   Nikkaji number：J710.367K

Gambogin

ガンボギン
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： C38H46O6
Molecular formula furigana： C38-H46-O6
Molecular weight： 598.780
InChI： InChI=1S/C38H46O6/c1-21(2)11-10-16-36(9)17-15-25-30(39)29-31(40)27-19-24-20-28-35(7,8)44-37(34(24)41,18-14-23(5)6)38(27,28)43-33(29)26(32(25)42-36)13-12-22(3)4/h11-12,14-15,17,19,24,28,39H,10,13,16,18,20H2,1-9H3/t24-,28+,36-,37+,38-/m1/s1
InChI key： UVSUFYGCWITFIZ-HRSBLVQNSA-N
SMILES： CC(=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(CC=C(C)C)OC6(C)C)C
Systematic name  (3)：
  • (1R,14aS)-3,3aβ,4,5-テトラヒドロ-8-ヒドロキシ-3,3,11-トリメチル-1,13-ビス(3-メチル-2-ブテニル)-11β-(4-メチル-3-ペンテニル)-1α,5α-メタノ-7H,11H-フロ[3,4-g]ピラノ[3,2-b]キサンテン-7,15-ジオン
  • (1S,2S,8R,17S,19R)-12-ヒドロキシ-8,21,21-トリメチル-5,19-ビス(3-メチルブタ-2-エン-1-イル)-8-(4-メチルペンタ-3-エン-1-イル)-3,7,20-トリオキサヘキサシクロ[15.4.1.02,15.02,19.04,13.06,11]ドコサ-4(13),5,9,11,15-ペンタエン-14,18-ジオン
  • (1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Other name (3)：
  • ガンボギン
  • Gambogin
  • (1R,14aS)-3,3aβ,4,5-Tetrahydro-8-hydroxy-3,3,11-trimethyl-1,13-bis(3-methyl-2-butenyl)-11β-(4-methyl-3-pentenyl)-1α,5α-methano-7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione
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