Chem
J-GLOBAL ID：200907070942425820   Nikkaji number：J16.649I

Alisol B

アリソールB
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChI key： GBJKHDVRXAVITG-UNPOXIGHSA-N
SMILES： C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Systematic name  (4)：
  • (8α,9β,14β,23S,24R)-11β,23-ジヒドロキシ-24,25-エポキシ-5α-ダンマラ-13(17)-エン-3-オン
  • (8α,9β,14β,23S,24R)-24,25-エポキシ-11β,23-ジヒドロキシ-5α-ダンマラ-13(17)-エン-3-オン
  • (3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S)-4-[(2R)-3,3-ジメチルオキシラン-2-イル]-4-ヒドロキシブタン-2-イル]-10-ヒドロキシ-3a,3b,6,6,9a-ペンタメチル-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-オン
  • (3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • アリソールB
  • Alisol B
  • (8α,9β,14β,23S,24R)-11β,23-Dihydroxy-24,25-epoxy-5α-dammar-13(17)-en-3-one
  • (8α,9β,14β,23S,24R)-24,25-Epoxy-11β,23-dihydroxy-5α-dammara-13(17)-ene-3-one
CAS registry number： 18649-93-9
KEGG COMPOUND： C17460
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM