Chem
J-GLOBAL ID：200907015312030257   Nikkaji number：J1.346.661K

Versisponic acid B

ベルシスポン酸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： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-25,27H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,27+,30-,31-,32-/m1/s1
InChI key： HCXLVDDYDMZZOT-SBARQLDBSA-N
SMILES： CC(=CCC[C@H]([C@H]1C[C@H](OC(=O)C)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O)C
Systematic name  (3)：
  • 3-オキソ-15α-アセトキシラノスタ-8,24-ジエン-21-酸
  • (2R)-2-[(1R,3S,3aR,5aR,9aS,11aR)-3-(アセチルオキシ)-3a,6,6,9a,11a-ペンタメチル-7-オキソ-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-メチルヘプタ-5-エン酸
  • (2R)-2-[(1R,3S,3aR,5aR,9aS,11aR)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
Other name (3)：
  • 3-Oxo-15α-acetoxylanosta-8,24-dien-21-oic acid
  • ベルシスポン酸B
  • Versisponic acid B
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