Chem
J-GLOBAL ID：200907090504589721   Nikkaji number：J1.967.059G

Cordialin A

コルジアリンA
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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-17(14-21(32)24-26(4,5)35-24)18-8-10-27(6)19(18)15-20(31)23-28(27,7)11-9-22-25(2,3)30(33)13-12-29(22,23)16-34-30/h14,18-20,22-24,31,33H,8-13,15-16H2,1-7H3/t18-,19-,20-,22+,23+,24?,27-,28-,29-,30+/m1/s1
InChI key： DNEQSUWGQYPGFV-RLSRRPHJSA-N
SMILES： CC(=CC(=O)C1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@]12CO3
Systematic name  (3)：
  • (3S,11R)-3α,11α-ジヒドロキシ-3,19:24,25-ジエポキシ-5α-ダンマラ-20(22)-エン-23-オン
  • 3-[(1R,2S,3R,5R,6S,9R,10R,13R,15S)-3,15-ジヒドロキシ-9,10,14,14-テトラメチル-16-オキサペンタシクロ[13.2.2.01,13.02,10.05,9]ノナデカン-6-イル]-1-(3,3-ジメチルオキシラン-2-イル)ブタ-2-エン-1-オン
  • 3-[(1R,2S,3R,5R,6S,9R,10R,13R,15S)-3,15-dihydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]-1-(3,3-dimethyloxiran-2-yl)but-2-en-1-one
Other name (3)：
  • (3S,11R)-3α,11α-Dihydroxy-3,19:24,25-diepoxy-5α-dammara-20(22)-ene-23-one
  • Cordialin A
  • コルジアリンA
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