Chem
J-GLOBAL ID：200907050508188967   Nikkaji number：J56.290D

Rosmanol

ロスマノール
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17-,20-/m0/s1
InChI key： LCAZOMIGFDQMNC-FORWCCJISA-N
SMILES： CC(C)c1cc2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2c(O)c1O
Systematic name  (5)：
  • 6β,7α,11,12-テトラヒドロキシアビエタ-8,11,13-トリエン-20-酸20,6-ラクトン
  • (4aR,10aα)-1,3,4,9,10,10a-ヘキサヒドロ-5,6,9α-トリヒドロキシ-1,1-ジメチル-7-(1-メチルエチル)-2H-10β,4aβ-(エポキシメタノ)フェナントレン-12-オン
  • 6β,20-エポキシ-7α,11,12-トリヒドロキシアビエタ-8,11,13-トリエン-20-オン
  • (1R,8S,9S,10S)-3,4,8-トリヒドロキシ-11,11-ジメチル-5-(プロパン-2-イル)-16-オキサテトラシクロ[7.5.2.01,10.02,7]ヘキサデカ-2(7),3,5-トリエン-15-オン
  • (1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
Other name (9)：
  • Rosmanol
  • ロスマノール
  • 6β,7α,11,12-Tetrahydroxyabieta-8,11,13-trien-20-oic acid 20,6-lactone
  • (4aR,10aα)-1,3,4,9,10,10a-Hexahydro-5,6,9α-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-10β,4aβ-(epoxymethano)phenanthren-12-one
  • 6β,20-Epoxy-7α,11,12-trihydroxyabieta-8,11,13-triene-20-one
Show all
CAS registry number： 80225-53-2
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