Chem
J-GLOBAL ID：200907097615917161   Nikkaji number：J10.879K

Lycernuic acid B

リセルヌ酸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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h16,19-24,31-33H,6-15,17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+,30+/m0/s1
InChI key： OZRBXLFGIBVOPB-LTVWIFDFSA-N
SMILES： C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(=O)O)C=C3CC[C@@H]12
Systematic name  (3)：
  • (4R,22S)-3β,21β,29-トリヒドロキシ-C(14a)-ホモ-27-ノルガンマセラ-14-エン-23-酸
  • (3S,6R,7R,8S,11R,12S,15S,16R,19R,20S,21R)-8,19-ジヒドロキシ-20-(ヒドロキシメチル)-3,7,11,16,20-ペンタメチルペンタシクロ[13.8.0.03,12.06,11.016,21]トリコサ-1-エン-7-カルボン酸
  • (3S,6R,7R,8S,11R,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1-ene-7-carboxylic acid
Other name (3)：
  • リセルヌ酸B
  • Lycernuic acid B
  • (4R,22S)-3β,21β,29-Trihydroxy-C(14a)-homo-27-norgammacer-14-en-23-oic acid
CAS registry number： 53755-78-5
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