Chem
J-GLOBAL ID:200907042208723493
Nikkaji number:J764.446I
Clerodinin D
クレロジニンD
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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:
C26 H40 O8
Molecular formula furigana:
C26-H40-O8
Molecular weight:
480.598
InChI:
InChI=1S/C26H40O8/c1-6-29-22-12-18-11-20(33-23(18)34-22)24(5)15(2)10-21(32-17(4)28)26(14-30-16(3)27)19(24)8-7-9-25(26)13-31-25/h15,18-23H,6-14H2,1-5H3/t15-,18+,19-,20+,21+,22+,23-,24+,25+,26+/m1/s1
InChI key:
NNGXCYCJTUSCQE-WQTTYCOWSA-N
SMILES:
CCO[C@@H]1C[C@@H]2C[C@H](O[C@@H]2O1)[C@@]1(C)[C@H](C)C[C@H](OC(=O)C)[C@]2(COC(=O)C)[C@@H]1CCC[C@@]12CO1
Systematic name (4):
(15S)-15-エトキシ-14,15-ジヒドロ-3-デオキシカリオプチノール
酢酸[(1R,4aβ)-5β-[[(3aα,6aα)-5β-エトキシヘキサヒドロフロ[2,3-b]フラン]-2α-イル]-5,6α-ジメチル-8aα-(アセトキシメチル)オクタヒドロスピロ[ナフタレン-1(2H),2′-オキシラン]]-8α-イル
[(1R,4aR,5S,6R,8S,8aR)-5-[(2S,3aS,5S,6aR)-5-エトキシ-ヘキサヒドロフロ[2,3-b]フラン-2-イル]-8-(アセチルオキシ)-5,6-ジメチル-オクタヒドロ-2H-スピロ[ナフタレン-1,2'-オキシラン]-8a-イル]メチル アセタート
[(1R,4aR,5S,6R,8S,8aR)-5-[(2S,3aS,5S,6aR)-5-ethoxy-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-yl]methyl acetate
Other name (6):
15α-エトキシ-14-ヒドロクレロジン
15α-Ethoxy-14-hydroclerodin
クレロジニンD
Clerodinin D
Acetic acid [(1R,4aβ)-5β-[[(3aα,6aα)-5β-ethoxyhexahydrofuro[2,3-b]furan]-2α-yl]-5,6α-dimethyl-8aα-(acetoxymethyl)octahydrospiro[naphthalene-1(2H),2′-oxiran]]-8α-yl ester
(15S)-15-Ethoxy-14,15-dihydro-3-deoxycaryoptinol
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CAS registry number:
124815-92-5
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