Chem
J-GLOBAL ID:200907002844957540   Nikkaji number:J1.955.303E

Montanin

モンタニン
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: C32H48O8
Molecular formula furigana: C32-H48-O8
Molecular weight: 560.728
InChI: InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21?,22-,23-,25-,26+,27-,28-,29+,30?,31-,32+/m1/s1
InChI key: SNFRINMTRPQQLE-LWOVICGFSA-N
SMILES: CCCCCCCCCCCC12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)C(C)C[C@@]3(O2)C(=C)C
Systematic name  (3):
  • 5β,6β-エポキシ-7β,8,10aβ-(ドデカン-1,1,1-トリイルトリスオキシ)-3aα,4α-ジヒドロキシ-4,5,6,6aα,7,8,9,10,10a,10bβ-デカヒドロ-5-(ヒドロキシメチル)-8α-イソプロペニル-2,10-ジメチルベンゾ[e]アズレン-3(3aH)-オン
  • (1R,2R,6S,7S,8R,10S,11S,12R,16R)-6,7-ジヒドロキシ-8-(ヒドロキシメチル)-4,18-ジメチル-16-(プロパ-1-エン-2-イル)-14-ウンデシル-9,13,15,19-テトラオキサヘキサシクロ[12.4.1.01,11.02,6.08,10.012,16]ノナデカ-3-エン-5-オン
  • (1R,2R,6S,7S,8R,10S,11S,12R,16R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-(prop-1-en-2-yl)-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
Other name (3):
  • モンタニン
  • Montanin
  • 5β,6β-Epoxy-7β,8,10aβ-(dodecane-1,1,1-triyltrisoxy)-3aα,4α-dihydroxy-4,5,6,6aα,7,8,9,10,10a,10bβ-decahydro-5-(hydroxymethyl)-8α-isopropenyl-2,10-dimethylbenzo[e]azulene-3(3aH)-one
CAS registry number: 66583-55-9
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