Chem
J-GLOBAL ID：200907042206131572   Nikkaji number：J126.682I

Pachymic acid

パキム酸
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： C33H52O5
Molecular formula furigana： C33-H52-O5
Molecular weight： 528.774
InChI： InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
InChI key： VDYCLYGKCGVBHN-DRCQUEPLSA-N
SMILES： CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]1CC3)C(=O)O
Systematic name  (3)：
  • 3β-アセチルオキシ-16α-ヒドロキシ-24-メチレンラノスタ-8-エン-21-酸
  • (2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(アセチルオキシ)-2-ヒドロキシ-3a,6,6,9a,11a-ペンタメチル-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-6-メチル-5-メチリデンヘプタン酸
  • (2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
Other name (3)：
  • Pachymic acid
  • パキム酸
  • 3β-Acetyloxy-16α-hydroxy-24-methylenelanost-8-en-21-oic acid
CAS registry number： 29070-92-6
KEGG COMPOUND： C17044
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