Chem
J-GLOBAL ID：200907064522005574   Nikkaji number：J864.567A

Scoparianoside B

スコパリアノシド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： C41H64O13
Molecular formula furigana： C41-H64-O13
Molecular weight： 764.950
InChI： InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h18,20,22-31,33-34,42-46H,8-17,19H2,1-7H3,(H,47,48)(H,49,50)/t20-,22-,23+,24-,25+,26+,27-,28+,29-,30+,31+,33+,34-,38+,39-,40-,41+/m1/s1
InChI key： VFFGPYVWPKDJMB-FIHLVUFWSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(=O)O
Systematic name  (3)：
  • 3β-(3-O-β-D-キシロピラノシル-β-D-グルコピラヌロノシルオキシ)オレアナ-18-エン-28-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bR,8aS,12bS,14aR,14bR)-8a-カルボキシ-4,4,6a,6b,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,5-ジヒドロキシ-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bR,8aS,12bS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • スコパリアノシドB
  • Scoparianoside B
  • 3β-(3-O-β-D-Xylopyranosyl-β-D-glucopyranuronosyloxy)olean-18-en-28-oic acid
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