Chem
J-GLOBAL ID:200907078866463629
Nikkaji number:J6.233B
Azafrin
アザフリン
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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:
C27 H38 O4
Molecular formula furigana:
C27-H38-O4
Molecular weight:
426.597
InChI:
InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1
InChI key:
NYWCITDWPAZNBU-DYISAODMSA-N
SMILES:
C/C(=C\C=C\C=C(/C)\C=C\C(=O)O)/C=C/C=C(\C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O
Systematic name (3):
(5R,6R)-5,6-ジヒドロ-5,6-ジヒドロキシ-10′-アポ-β,ψ-カロテン-10′-酸
(2E,4E,6E,8E,10E,12E,14E)-15-[(1R,2R)-1,2-ジヒドロキシ-2,6,6-トリメチルシクロヘキシル]-4,9,13-トリメチルペンタデカ-2,4,6,8,10,12,14-ヘプタエン酸
(2E,4E,6E,8E,10E,12E,14E)-15-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenoic acid
Other name (5):
アザフリン
エスコベジン
Azafrin
Escobedin
(5R,6R)-5,6-Dihydro-5,6-dihydroxy-10′-apo-β,ψ-carotenoic acid
CAS registry number:
507-61-9
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