Chem
J-GLOBAL ID：200907017234043358   Nikkaji number：J1.967.051A

Cordianol B

コルジアノール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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-17(2)24(33)21(31)14-18(3)19-8-10-27(6)20(19)15-22(32)25-28(27,7)11-9-23-26(4,5)30(34)13-12-29(23,25)16-35-30/h14,19-25,31-34H,1,8-13,15-16H2,2-7H3/t19-,20-,21+,22-,23+,24?,25+,27-,28-,29-,30+/m1/s1
InChI key： YVVPJOHKSHNHKP-ZAIOGGHESA-N
SMILES： CC(=C)C(O)[C@@H](O)C=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,23S)-3,19-エポキシ-5α-ダンマラ-20(22),25-ジエン-3α,11α,23,24-テトラオール
  • (1R,2S,3R,5R,6S,9R,10R,13R,15S)-6-[(4S)-4,5-ジヒドロキシ-6-メチルヘプタ-2,6-ジエン-2-イル]-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-3,15-ジオール
  • (1R,2S,3R,5R,6S,9R,10R,13R,15S)-6-[(4S)-4,5-dihydroxy-6-methylhepta-2,6-dien-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-3,15-diol
Other name (3)：
  • (3S,11R,23S)-3,19-Epoxy-5α-dammara-20(22),25-diene-3α,11α,23,24-tetrol
  • Cordianol B
  • コルジアノールB
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