Chem
J-GLOBAL ID：200907022034459235   Nikkaji number：J8.271F

Cucurbitacin D

ククルビタシンD
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： C30H44O7
Molecular formula furigana： C30-H44-O7
Molecular weight： 516.674
InChI： InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChI key： SRPHMISUTWFFKJ-QJNWWGCFSA-N
SMILES： CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (4)：
  • (10α,23E)-2β,16α,20,25-テトラヒドロキシ-9β-メチル-19-ノルラノスタ-5,23-ジエン-3,11,22-トリオン
  • (9β,10α,23E)-2β,16α,20,25-テトラヒドロキシ-9-メチル-19-ノルラノスタ-5,23-ジエン-3,11,22-トリオン
  • (1R,2R,3aS,3bS,8S,9aR,9bR,11aR)-1-[(2R,4E)-2,6-ジヒドロキシ-6-メチル-3-オキソヘプタ-4-エン-2-イル]-2,8-ジヒドロキシ-3a,6,6,9b,11a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,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,2R,3aS,3bS,8S,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (6)：
  • エラテリシンA
  • ククルビタシンD
  • Elatericin A
  • Cucurbitacin D
  • (10α,23E)-2β,16α,20,25-Tetrahydroxy-9β-methyl-19-norlanosta-5,23-diene-3,11,22-trione
Show all
CAS registry number： 3877-86-9
KEGG COMPOUND： C08796
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