Chem
J-GLOBAL ID:200907080341333893
Nikkaji number:J2.285.195K
Exiguolide
イグジグオリド
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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:
C34 H48 O8
Molecular formula furigana:
C34-H48-O8
Molecular weight:
584.750
InChI:
InChI=1S/C34H48O8/c1-23(17-32(35)38-4)10-7-6-8-13-31-25(3)15-14-24(2)16-27-11-9-12-28(40-27)21-29-18-26(20-33(36)39-5)19-30(41-29)22-34(37)42-31/h6-8,10,13-15,20,24-25,27-31H,9,11-12,16-19,21-22H2,1-5H3/b7-6-,13-8+,15-14-,23-10+,26-20?/t24-,25-,27+,28-,29+,30-,31-/m1/s1
InChI key:
ZSZWFYKJMCEGCH-AQFHPAEVSA-N
SMILES:
COC(=O)C/C(=C/C=C\C=C\[C@H]1OC(=O)C[C@H]2CC(=CC(=O)OC)C[C@@H](C[C@H]3CCC[C@@H](C[C@H](C)/C=C\[C@H]1C)O3)O2)/C
Systematic name (3):
(4R,17E)-4α,8α:10α,14α-ジエポキシ-6-(2-オキソ-2-メトキシエチリデン)-16α,19β-ジメチル-20β-[(1E,3Z,5E)-6-メチル-8-オキソ-8-メトキシ-1,3,5-オクタトリエニル]-1-オキサ-17-シクロイコセン-2-オン
メチル (3E,5Z,7E)-8-[(1R,3S,7R,11R,12R,13Z,15S,17S)-5-(2-メトキシ-2-オキソエチリデン)-12,15-ジメチル-9-オキソ-10,21,22-トリオキサトリシクロ[15.3.1.13,7 ]ドコサ-13-エン-11-イル]-3-メチルオクタ-3,5,7-トリエノアート
methyl (3E,5Z,7E)-8-[(1R,3S,7R,11R,12R,13Z,15S,17S)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7 ]docos-13-en-11-yl]-3-methylocta-3,5,7-trienoate
Other name (6):
(4R,17E)-4α,8α:10α,14α-Diepoxy-6-(2-oxo-2-methoxyethylidene)-16α,19β-dimethyl-20β-[(1E,3Z,5E)-6-methyl-8-oxo-8-methoxy-1,3,5-octatrienyl]-1-oxa-17-cycloicocene-2-one
エキシグオリド
Exiguolide
(+)-エキシグオリド
(+)-Exiguolide
イグジグオリド
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Application (1):
antitumor drug
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