Chem
J-GLOBAL ID:200907073204820322
Nikkaji number:J227.731J
Clavulone I
クラブロンI
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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:
C25 H34 O7
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-NTJQXXRSSA-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,5Z,7E,12S,14Z)-4,12-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,5Z)-4-(アセチルオキシ)-7-[(1E,2S)-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,5Z)-4-(acetyloxy)-7-[(1E,2S)-2-(acetyloxy)-2-[(2Z)-oct-2-en-1-yl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Other name (9):
(-)-クラブロンI
クラブロンI
(-)-クラビリデノンd
(-)-Clavulone I
クラビリデノンd
Claviridenone d
(-)-Claviridenone d
Clavulone I
(4R,5Z,7E,12S,14Z)-4,12-Bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetren-1-oic acid methyl ester
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CAS registry number:
85700-42-1
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