Chem
J-GLOBAL ID:200907010551097191   Nikkaji number:J1.000.552C

(1R)-1-Nitro-3,4-dimethyl-6α-[(1R,2R,3R,4R)-1,2,3,4,5-pentaacetoxypentyl]-3-cyclohexene-1β-propanal

(1R)-1-ニトロ-3,4-ジメチル-6α-[(1R,2R,3R,4R)-1,2,3,4,5-ペンタアセトキシペンチル]-3-シクロヘキセン-1β-プロパナール
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: C26H37[N+]O12[O-]
Molecular formula furigana: C26-H37-N-O13
Molecular weight: 571.576
InChI: InChI=1S/C26H37NO13/c1-14-11-21(26(27(34)35,9-8-10-28)12-15(14)2)23(38-18(5)31)25(40-20(7)33)24(39-19(6)32)22(37-17(4)30)13-36-16(3)29/h10,21-25H,8-9,11-13H2,1-7H3/t21-,22-,23-,24-,25-,26-/m1/s1
InChI key: KBBKMTMNFYRGHP-KNWPELBISA-N
SMILES: CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1CC(=C(C)C[C@@]1(CCC=O)[N+](=O)[O-])C
Systematic name  (3):
  • (1R)-1-ニトロ-3,4-ジメチル-6α-[(1R,2R,3R,4R)-1,2,3,4,5-ペンタアセトキシペンチル]-3-シクロヘキセン-1β-プロパナール
  • (1R,2R,3R,4R)-1,2,4,5-テトラキス(アセチルオキシ)-1-[(1S,6R)-3,4-ジメチル-6-ニトロ-6-(3-オキソプロピル)シクロヘキサ-3-エン-1-イル]ペンタン-3-イル アセタート
  • (1R,2R,3R,4R)-1,2,4,5-tetrakis(acetyloxy)-1-[(1S,6R)-3,4-dimethyl-6-nitro-6-(3-oxopropyl)cyclohex-3-en-1-yl]pentan-3-yl acetate
Other name (1):
  • (1R)-1-Nitro-3,4-dimethyl-6α-[(1R,2R,3R,4R)-1,2,3,4,5-pentaacetoxypentyl]-3-cyclohexene-1β-propanal
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