Chem
J-GLOBAL ID：200907051075549567   Nikkaji number：J19.375E

Cryptoflavin

クリプトフラビン
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： C40H56O2
Molecular formula furigana： C40-H56-O2
Molecular weight： 568.886
InChI： InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+
InChI key： WEJIOGMJJWSQFC-NNAJIMERSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C1OC2(C)CCCC(C)(C)C2=C1)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C
Systematic name  (3)：
  • 5′,8′-オキシ-5′,8′-ジヒドロ-β,β-カロテン-3-オール
  • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-トリメチル-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-2-イル)-3,7,12-トリメチルヘプタデカ-1,3,5,7,9,11,13,15-オクタエン-1-イル]-3,5,5-トリメチルシクロヘキサ-3-エン-1-オール
  • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
Other name (3)：
  • クリプトフラビン
  • Cryptoflavin
  • 5′,8′-Oxy-5′,8′-dihydro-β,β-caroten-3-ol
CAS registry number： 30311-63-8
Thsaurus map：
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