Chem
J-GLOBAL ID：200907043425871430   Nikkaji number：J9.859K

Hyenanchin

ヒエナンキン
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： C15H18O7
Molecular formula furigana： C15-H18-O7
Molecular weight： 310.302
InChI： InChI=1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13?,14+,15-/m0/s1
InChI key： DWCJGLPGZULWPZ-MNMRIQKVSA-N
SMILES： CC(=C)[C@]1(O)[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3C3(CO3)[C@]1(C)[C@@H]2O
Systematic name  (3)：
  • (1aS,7aR,8S)-1a,1b,5,6,6a,7a-ヘキサヒドロ-1bα,6β,8-トリヒドロキシ-6aα-メチル-8-(1-メチルエテニル)スピロ[2α,5α-メタノ-7H-オキシレノ[3,4]シクロペンタ[1,2-d]オキセピン-7,2′-オキシラン]-3(2H)-オン
  • (1'S,2'R,3'S,5'R,7'R,8'S,9'S,12'S)-2',8',12'-トリヒドロキシ-7'-メチル-12'-(プロパ-1-エン-2-イル)-4',10'-ジオキサスピロ[オキシラン-2,6'-テトラシクロ[7.2.1.02,7.03,5]ドデカン]-11'-オン
  • (1'S,2'R,3'S,5'R,7'R,8'S,9'S,12'S)-2',8',12'-trihydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.02,7.03,5]dodecan]-11'-one
Other name (3)：
  • ヒエナンキン
  • Hyenanchin
  • (1aS,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β,8-trihydroxy-6aα-methyl-8-(1-methylethenyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2′-oxiran]-3(2H)-one
CAS registry number： 3484-46-6
KEGG COMPOUND： C09502
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