Chem
J-GLOBAL ID：200907033237891690   Nikkaji number：J8.321F

Cucurbitacin J

ククルビタシンJ
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： C30H44O8
Molecular formula furigana： C30-H44-O8
Molecular weight： 532.674
InChI： InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18?,19-,20?,23-,27-,28+,29+,30-/m0/s1
InChI key： FBGLZDYMEULGSX-COELDGDNSA-N
SMILES： CC(C)(O)C(O)CC(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C=C(O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • 2,16,20,24,25-ペンタヒドロキシ-9-メチル-19-ノルラノスタ-1,5-ジエン-3,11,22-トリオン
  • (1R,3aS,3bS,9aS,9bS,11aR)-2,8-ジヒドロキシ-3a,6,6,9b,11a-ペンタメチル-1-[(2R)-2,5,6-トリヒドロキシ-6-メチル-3-オキソヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7,10-ジオン
  • (1R,3aS,3bS,9aS,9bS,11aR)-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-1-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (5)：
  • ククルビタシンJ
  • ククルビタシンK
  • Cucurbitacin J
  • Cucurbitacin K
  • 2,16,20,24,25-Pentahydroxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione
CAS registry number： 5979-41-9
KEGG COMPOUND： C08801
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