Chem
J-GLOBAL ID：200907062750575086   Nikkaji number：J1.967.052J

Cordianol C

コルジアノールC
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： C31H52O6
Molecular formula furigana： C31-H52-O6
Molecular weight： 520.751
InChI： InChI=1S/C31H52O6/c1-18(15-22(33)25(34)27(4,5)36-8)19-9-11-28(6)20(19)16-21(32)24-29(28,7)12-10-23-26(2,3)31(35)14-13-30(23,24)17-37-31/h15,19-25,32-35H,9-14,16-17H2,1-8H3/t19-,20-,21-,22+,23+,24+,25?,28-,29-,30-,31+/m1/s1
InChI key： ANFJBMXRWPPYJK-AEVSQIBNSA-N
SMILES： COC(C)(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)-25-メトキシ-3,19-エポキシ-5α-ダンマラ-20(22)-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-メトキシ-6-メチルヘプタ-2-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-methoxy-6-methylhept-2-en-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)-25-Methoxy-3,19-epoxy-5α-dammara-20(22)-ene-3α,11α,23,24-tetrol
  • Cordianol C
  • コルジアノールC
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