Chem
J-GLOBAL ID：200907065981460221   Nikkaji number：J1.275.130C

Comnostin D

コムノスチンD
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： C29H44O5
Molecular formula furigana： C29-H44-O5
Molecular weight： 472.666
InChI： InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22?,23?,26+,27-,28-,29+/m1/s1
InChI key： NGZCNRIYOUJSLA-SKPIEEQRSA-N
SMILES： COC(OC)[C@]1(C)CCC2[C@@]1(C)CCC1[C@](C)(Cc3cc(ccc3O)C(=O)O)[C@H](C)CC[C@]21C
Systematic name  (3)：
  • 4-ヒドロキシ-3-[[(3R)-ドデカヒドロ-3β-(ジメトキシメチル)-3,3aβ,6,7α,9aβ-ペンタメチル-1H-ベンゾ[e]インデン-6α-イル]メチル]安息香酸
  • 3-{[(3R,3aR,6R,7R,9aS)-3-(ジメトキシメチル)-3,3a,6,7,9a-ペンタメチル-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-6-イル]メチル}-4-ヒドロキシ安息香酸
  • 3-{[(3R,3aR,6R,7R,9aS)-3-(dimethoxymethyl)-3,3a,6,7,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
Other name (3)：
  • 4-Hydroxy-3-[[(3R)-dodecahydro-3β-(dimethoxymethyl)-3,3aβ,6,7α,9aβ-pentamethyl-1H-benzo[e]indene-6α-yl]methyl]benzoic acid
  • コムノスチンD
  • Comnostin D
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