Chem
J-GLOBAL ID：200907080098267550   Nikkaji number：J1.346.664E

Versisponic acid E

ベルシスポン酸E
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： C34H52O6
Molecular formula furigana： C34-H52-O6
Molecular weight： 556.784
InChI： InChI=1S/C34H52O6/c1-20(2)11-10-12-23(30(37)38)26-19-29(40-22(4)36)34(9)25-13-14-27-31(5,6)28(39-21(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h11,23,26-29H,10,12-19H2,1-9H3,(H,37,38)/t23-,26-,27+,28+,29+,32-,33-,34-/m1/s1
InChI key： FRDFTEPTZCLNSB-KLNYWHDDSA-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)CC[C@H](OC(=O)C)C(C)(C)[C@@H]1CC3)C(=O)O)C
Systematic name  (3)：
  • 3β,15α-ジアセトキシラノスタ-8,24-ジエン-21-酸
  • (2R)-2-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-ビス(アセチルオキシ)-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-メチルヘプタ-5-エン酸
  • (2R)-2-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-bis(acetyloxy)-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-methylhept-5-enoic acid
Other name (3)：
  • 3β,15α-Diacetoxylanosta-8,24-dien-21-oic acid
  • ベルシスポン酸E
  • Versisponic acid E
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