Chem
J-GLOBAL ID：200907092825546865   Nikkaji number：J1.827.602J

Glyyunnansapogenin B

グリユンナンサポゲニン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/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,25-,26-,27+,28+,29+,30+/m0/s1
InChI key： ZXWLSOQCDSAYHO-XMINHIMGSA-N
SMILES： C[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]1C[C@](C)([C@H](O)C2)C(=O)O
Systematic name  (3)：
  • 3β,21α,24-トリヒドロキシオレアナ-12-エン-30-酸
  • (2R,3R,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-3,10-ジヒドロキシ-9-(ヒドロキシメチル)-2,4a,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
  • (2R,3R,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (3)：
  • 3β,21α,24-Trihydroxyoleana-12-ene-30-oic acid
  • グリユンナンサポゲニンB
  • Glyyunnansapogenin B
CAS registry number： 131177-50-9
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