Chem
J-GLOBAL ID：200907086582608700   Nikkaji number：J17.449A

Cyathin A3

シアチンA3
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-12(2)14-5-6-18(3)7-8-19(4)15(17(14)18)9-16-13(11-21)10-20(19,22)23-16/h10,12,15-16,21-22H,5-9,11H2,1-4H3/t15-,16-,18-,19-,20-/m1/s1
InChI key： VUPKBPVGOKWIGI-YKXHTNLXSA-N
SMILES： CC(C)C1=C2[C@H]3C[C@H]4O[C@](O)(C=C4CO)[C@]3(C)CC[C@@]2(C)CC1
Systematic name  (4)：
  • (3aR)-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロ-6-ヒドロキシ-3aβ,5aα-ジメチル-1-イソプロピル-6α,9α-エポキシシクロヘプタ[e]インデン-8-メタノール
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6-ヒドロキシ-6α,9α-エポキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン-8-メタノール
  • (1R,2R,5R,10R,12R)-13-(ヒドロキシメチル)-2,5-ジメチル-8-(プロパン-2-イル)-15-オキサテトラシクロ[10.2.1.02,10.05,9]ペンタデカ-8,13-ジエン-1-オール
  • (1R,2R,5R,10R,12R)-13-(hydroxymethyl)-2,5-dimethyl-8-(propan-2-yl)-15-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-8,13-dien-1-ol
Other name (4)：
  • シアチンA3
  • Cyathin A3
  • (3aR)-2,3,3a,4,5,5a,6,9,10,10aβ-Decahydro-6-hydroxy-3aβ,5aα-dimethyl-1-isopropyl-6α,9α-epoxycyclohept[e]indene-8-methanol
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6-hydroxy-6α,9α-epoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-8-methanol
CAS registry number： 38598-35-5
KEGG COMPOUND： C09079
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