Chem
J-GLOBAL ID：200907063217267309   Nikkaji number：J1.346.660B

Versisponic acid A

ベルシスポン酸A
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-18(17-31)8-7-9-19(26(34)35)22-16-25(33)30(6)21-10-11-23-27(2,3)24(32)13-14-28(23,4)20(21)12-15-29(22,30)5/h8,19,22-25,31-33H,7,9-17H2,1-6H3,(H,34,35)/t19-,22-,23+,24+,25+,28-,29-,30-/m1/s1
InChI key： SOVHMVOSATVEJW-JZTHNVADSA-N
SMILES： CC(=CCC[C@H]([C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O)CO
Systematic name  (3)：
  • 3β,15α,27-トリヒドロキシラノスタ-8,24-ジエン-21-酸
  • (2R)-2-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-ジヒドロキシ-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]-7-ヒドロキシ-6-メチルヘプタ-5-エン酸
  • (2R)-2-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-dihydroxy-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]-7-hydroxy-6-methylhept-5-enoic acid
Other name (3)：
  • 3β,15α,27-Trihydroxylanosta-8,24-dien-21-oic acid
  • ベルシスポン酸A
  • Versisponic acid A
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