Chem
J-GLOBAL ID：200907083554784626   Nikkaji number：J2.363.741C

(2E,4E)-5-[(1R)-5α-(4-Nitrobenzoyloxy)-3,8β-dimethyl-2β-[(E)-1-methyl-1-propenyl]-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-yl]-2,4-pentadienoic acid methyl ester

(2E,4E)-5-[(1R)-5α-(4-ニトロベンゾイルオキシ)-3,8β-ジメチル-2β-[(E)-1-メチル-1-プロペニル]-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1-イル]-2,4-ペンタジエン酸メチル
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： C29H35[N+]O5[O-]
Molecular formula furigana： C29-H35-N-O6
Molecular weight： 493.600
InChI： InChI=1S/C29H35NO6/c1-6-18(2)27-20(4)17-24-25(36-29(32)21-12-14-22(15-13-21)30(33)34)16-11-19(3)28(24)23(27)9-7-8-10-26(31)35-5/h6-10,12-15,17,19,23-25,27-28H,11,16H2,1-5H3/b9-7+,10-8+,18-6+/t19-,23+,24+,25-,27+,28-/m1/s1
InChI key： ZMVFZQUHAVPKMC-ZRCSCMEASA-N
SMILES： COC(=O)/C=C/C=C/[C@@H]1[C@H]2[C@H](C)CC[C@@H](OC(=O)c3ccc(cc3)[N+](=O)[O-])[C@@H]2C=C(C)[C@@H]1/C(=C/C)/C
Systematic name  (3)：
  • (2E,4E)-5-[(1R)-5α-(4-ニトロベンゾイルオキシ)-3,8β-ジメチル-2β-[(E)-1-メチル-1-プロペニル]-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1-イル]-2,4-ペンタジエン酸メチル
  • (1R,4R,4aR,5R,6S,8aS)-6-[(2E)-ブタ-2-エン-2-イル]-5-[(1E,3E)-5-メトキシ-5-オキソペンタ-1,3-ジエン-1-イル]-4,7-ジメチル-1,2,3,4,4a,5,6,8a-オクタヒドロナフタレン-1-イル 4-ニトロベンゾアート
  • (1R,4R,4aR,5R,6S,8aS)-6-[(2E)-but-2-en-2-yl]-5-[(1E,3E)-5-methoxy-5-oxopenta-1,3-dien-1-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 4-nitrobenzoate
Other name (1)：
  • (2E,4E)-5-[(1R)-5α-(4-Nitrobenzoyloxy)-3,8β-dimethyl-2β-[(E)-1-methyl-1-propenyl]-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-yl]-2,4-pentadienoic acid methyl ester
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