Chem
J-GLOBAL ID：200907087306889379   Nikkaji number：J1.967.050C

Cordianol A

コルジアノール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： C30H50O6
Molecular formula furigana： C30-H50-O6
Molecular weight： 506.724
InChI： InChI=1S/C30H50O6/c1-17(14-21(32)24(33)26(4,5)34)18-8-10-27(6)19(18)15-20(31)23-28(27,7)11-9-22-25(2,3)30(35)13-12-29(22,23)16-36-30/h14,18-24,31-35H,8-13,15-16H2,1-7H3/t18-,19-,20-,21+,22+,23+,24?,27-,28-,29-,30+/m1/s1
InChI key： CYPWUGDZIQZKDA-KZJVKSJRSA-N
SMILES： CC(=C[C@H](O)C(O)C(C)(C)O)[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,23S)-3,19-エポキシ-5α-ダンマラ-20(22)-エン-3α,11α,23,24,25-ペンタオール
  • (4S)-6-[(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]-2-メチルヘプタ-5-エン-2,3,4-トリオール
  • (4S)-6-[(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]-2-methylhept-5-ene-2,3,4-triol
Other name (3)：
  • (3S,11R,23S)-3,19-Epoxy-5α-dammara-20(22)-ene-3α,11α,23,24,25-pentol
  • Cordianol A
  • コルジアノールA
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