Chem
J-GLOBAL ID：200907037602908861
Nikkaji number：J2.643.971J
(3S,3′S,11′Z)-3,3′-Dihydroxy-11′-nitro-β,β-carotene-4,4′-dione
(3S,3′S,11′Z)-3,3′-ジヒドロキシ-11′-ニトロ-β,β-カロテン-4,4′-ジオン
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
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
Molecular formula： C40H51[N+]O5[O-]
Molecular formula furigana： C40-H51-N-O6
Molecular weight： 641.849
InChI：
InChI=1S/C40H51NO6/c1-26(16-13-17-27(2)18-20-33-30(5)37(44)35(42)24-39(33,7)8)14-11-12-15-28(3)22-32(41(46)47)23-29(4)19-21-34-31(6)38(45)36(43)25-40(34,9)10/h11-23,35-36,42-43H,24-25H2,1-10H3/b12-11+,16-13+,20-18+,21-19+,26-14+,27-17+,28-15+,29-23+,32-22-/t35-,36-/m0/s1
InChI key：
SNZKAOPDEZSZSL-DRXDVZFGSA-N
SMILES：
C/C(=C\C=C\C=C(/C)\C=C(\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/[N+](=O)[O-])/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
Systematic name (3)：
- (3S,3′S,11′Z)-3,3′-ジヒドロキシ-11′-ニトロ-β,β-カロテン-4,4′-ジオン
- (6S)-6-ヒドロキシ-3-[(1E,3E,5E,7E,9E,11E,13Z,15E,17E)-18-[(4S)-4-ヒドロキシ-2,6,6-トリメチル-3-オキソシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチル-14-ニトロオクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
- (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13Z,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyl-14-nitrooctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
- (3S,3′S,11′Z)-3,3′-Dihydroxy-11′-nitro-β,β-carotene-4,4′-dione
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