Chem
J-GLOBAL ID：200907004298943889   Nikkaji number：J1.747.664E

(1R)-3-Isopropyl-4β-formyl-7β-methyl-8aβ-[[(2R)-4-(3-methyl-3-butenyl)-6α-methoxy-7β-methylhexahydro-1,4-oxazepine-2β-yl]methoxy]-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-1,4-methano-s-indacene-3aβ-carboxylic acid

(1R)-3-イソプロピル-4β-ホルミル-7β-メチル-8aβ-[[(2R)-4-(3-メチル-3-ブテニル)-6α-メトキシ-7β-メチルヘキサヒドロ-1,4-オキサゼピン-2β-イル]メトキシ]-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-1,4-メタノ-s-インダセン-3aβ-カルボン酸
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： C32H49NO6
Molecular formula furigana： C32-H49-N-O6
Molecular weight： 543.745
InChI： InChI=1S/C32H49NO6/c1-19(2)10-11-33-15-24(39-22(6)28(16-33)37-7)17-38-31-14-25-21(5)8-9-26(25)30(18-34)13-23(31)12-27(20(3)4)32(30,31)29(35)36/h12,18,20-26,28H,1,8-11,13-17H2,2-7H3,(H,35,36)/t21-,22-,23+,24-,25-,26-,28+,30+,31+,32+/m1/s1
InChI key： KRVRGWYBZTXVSD-KMUFYPSPSA-N
SMILES： CO[C@H]1CN(CCC(=C)C)C[C@H](CO[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)C=O)O[C@@H]1C
Systematic name  (3)：
  • (1R)-3-イソプロピル-4β-ホルミル-7β-メチル-8aβ-[[(2R)-4-(3-メチル-3-ブテニル)-6α-メトキシ-7β-メチルヘキサヒドロ-1,4-オキサゼピン-2β-イル]メトキシ]-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-1,4-メタノ-s-インダセン-3aβ-カルボン酸
  • (1S,2S,4R,5R,8R,9S,11R)-9-ホルミル-2-{[(2R,6S,7R)-6-メトキシ-7-メチル-4-(3-メチルブタ-3-エン-1-イル)-1,4-オキサゼパン-2-イル]メトキシ}-5-メチル-13-(プロパン-2-イル)テトラシクロ[7.4.0.02,11.04,8]トリデカ-12-エン-1-カルボン酸
  • (1S,2S,4R,5R,8R,9S,11R)-9-formyl-2-{[(2R,6S,7R)-6-methoxy-7-methyl-4-(3-methylbut-3-en-1-yl)-1,4-oxazepan-2-yl]methoxy}-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Other name (1)：
  • (1R)-3-Isopropyl-4β-formyl-7β-methyl-8aβ-[[(2R)-4-(3-methyl-3-butenyl)-6α-methoxy-7β-methylhexahydro-1,4-oxazepine-2β-yl]methoxy]-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-1,4-methano-s-indacene-3aβ-carboxylic acid
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