Chem
J-GLOBAL ID:200907088175100606   Nikkaji number:J147.200C

Clavulone III

クラブロンIII
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: C25H34O7
Molecular formula furigana: C25-H34-O7
Molecular weight: 446.540
InChI: InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13+/t21-,25+/m0/s1
InChI key: QXSYLWTUKSQQCP-ZLDZELHSSA-N
SMILES: CCCCC/C=C\C[C@@]1(OC(=O)C)C=CC(=O)/C/1=C\C=C\[C@@H](CCC(=O)OC)OC(=O)C
Systematic name  (3):
  • (4R,5E,7Z,14Z)-4,12α-ビス(アセチルオキシ)-9-オキソプロスタ-5,7,10,14-テトラエン-1-酸メチル
  • メチル (4R,5E)-4-(アセチルオキシ)-7-[(1Z,2R)-2-(アセチルオキシ)-2-[(2Z)-オクタ-2-エン-1-イル]-5-オキソシクロペンタ-3-エン-1-イリデン]ヘプタ-5-エノアート
  • methyl (4R,5E)-4-(acetyloxy)-7-[(1Z,2R)-2-(acetyloxy)-2-[(2Z)-oct-2-en-1-yl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Other name (13):
  • クラビリデノンB
  • Clavulone III
  • Claviridenone B
  • クラブロンIII
  • (+)-クラブロンIII
Show all
CAS registry number: 85700-44-3
KEGG COMPOUND: C13813
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