Chem
J-GLOBAL ID：200907082812967157   Nikkaji number：J1.050.938F

Isorosmanol

イソロスマノール
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(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16-,17?,20+/m1/s1
InChI key： UXVPWKDITRJELA-CMDBWPPSSA-N
SMILES： CC(C)c1cc2[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C4[C@@H]3O)c2c(O)c1O
Systematic name  (3)：
  • (4aR)-1,3,4,9,10α,10a-ヘキサヒドロ-5,6,10β-トリヒドロキシ-1,1-ジメチル-7-イソプロピル-2H-9β,4a-(エポキシメタノ)フェナントレン-12-オン
  • (1R,8R,9S)-3,4,9-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[6.6.2.01,10.02,7]ヘキサデカ-2(7),3,5-トリエン-15-オン
  • (1R,8R,9S)-3,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
Other name (3)：
  • (4aR)-1,3,4,9,10α,10a-Hexahydro-5,6,10β-trihydroxy-1,1-dimethyl-7-isopropyl-2H-9β,4a-(epoxymethano)phenanthrene-12-one
  • イソロスマノール
  • Isorosmanol
CAS registry number： 93780-80-4
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