Chem
J-GLOBAL ID:200907001834123068   Nikkaji number:J2.125.697H

Calealactone B

カレアラクトンB
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: C21H26O9
Molecular formula furigana: C21-H26-O9
Molecular weight: 422.430
InChI: InChI=1S/C21H26O9/c1-8(2)19(24)30-15-13-10(4)20(25)28-12(13)7-9(3)14-16(29-14)17(23)21(6,26)18(15)27-11(5)22/h9,12-16,18,26H,1,4,7H2,2-3,5-6H3/t9?,12-,13+,14+,15+,16+,18?,21+/m1/s1
InChI key: BRBRVKOYZAMSBL-PEJMHFAZSA-N
SMILES: CC1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)C(OC(=O)C)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12
Systematic name  (4):
  • (3aS,4S,5R,6R,8S,9S,10R,11aR)-5-アセトキシ-8,9-エポキシ-6-ヒドロキシ-3a,4,5,8,9,10,11,11a-オクタヒドロ-4-(メタクリロイルオキシ)-3-メチレン-6,10-ジメチルシクロデカ[b]フラン-2,7(3H,6H)-ジオン
  • (1β,10α)-2α-(メタクリロイルオキシ)-3β-アセトキシ-4β-ヒドロキシ-4,8α-ジメチル-13-メチレン-6β,7β-エポキシ-11-オキサビシクロ[8.3.0]トリデカン-5,12-ジオン
  • (1R,3R,4S,6S,8R,9R,10S,11S)-9-(アセチルオキシ)-8-ヒドロキシ-3,8-ジメチル-12-メチリデン-7,13-ジオキソ-5,14-ジオキサトリシクロ[9.3.0.04,6]テトラデカン-10-イル 2-メチルプロパ-2-エノアート
  • (1R,3R,4S,6S,8R,9R,10S,11S)-9-(acetyloxy)-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl 2-methylprop-2-enoate
Other name (4):
  • (3aS,4S,5R,6R,8S,9S,10R,11aR)-5-Acetoxy-8,9-epoxy-6-hydroxy-3a,4,5,8,9,10,11,11a-octahydro-4-(methacryloyloxy)-3-methylene-6,10-dimethylcyclodeca[b]furan-2,7(3H,6H)-dione
  • カレアラクトンB
  • Calealactone B
  • (1β,10α)-2α-(Methacryloyloxy)-3β-acetoxy-4β-hydroxy-4,8α-dimethyl-13-methylene-6β,7β-epoxy-11-oxabicyclo[8.3.0]tridecane-5,12-dione
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