Chem
J-GLOBAL ID：200907044754808117   Nikkaji number：J1.967.058I

Cordianol I

コルジアノールI
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/c1-17(15-21(33)25(34)28(4,5)35)18-9-12-29(6)19(18)16-20(32)24-30(29,7)13-10-22-27(2,3)23-11-14-31(22,24)26(36-8)37-23/h15,18-26,32-35H,9-14,16H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25?,26?,29-,30-,31-/m1/s1
InChI key： QDCKMBPGZJSBGP-WIOLKUTFSA-N
SMILES： COC1O[C@H]2CC[C@@]31[C@@H](CC[C@]1(C)[C@@H]3[C@H](O)C[C@@H]3[C@H](CC[C@@]13C)C(=C[C@H](O)C(O)C(C)(C)O)C)C2(C)C
Systematic name  (3)：
  • (3S,11R,23S)-19-メトキシ-3,19-エポキシ-5α-ダンマラ-20(22)-エン-11α,23,24,25-テトラオール
  • (4S)-6-[(1R,2S,3R,5R,6S,9R,10R,13S,15S)-3-ヒドロキシ-17-メトキシ-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,13S,15S)-3-hydroxy-17-methoxy-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)-19-Methoxy-3,19-epoxy-5α-dammara-20(22)-ene-11α,23,24,25-tetrol
  • Cordianol I
  • コルジアノールI
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