Chem
J-GLOBAL ID：200907035387640671   Nikkaji number：J779.126G

Desacylcamelliasaponin C

デスアシルカメリアサポニンC
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： C53H86O25
Molecular formula furigana： C53-H86-O25
Molecular weight： 1123.246
InChI： InChI=1S/C53H86O25/c1-48(2)13-22-21-7-8-27-49(3)11-10-30(50(4,19-56)26(49)9-12-51(27,5)52(21,6)15-29(60)53(22,20-57)28(59)14-48)74-47-42(78-45-37(67)35(65)33(63)25(17-55)73-45)39(38(68)40(76-47)43(69)70)75-46-41(31(61)23(58)18-71-46)77-44-36(66)34(64)32(62)24(16-54)72-44/h7,22-42,44-47,54-68H,8-20H2,1-6H3,(H,69,70)/t22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,49-,50-,51+,52+,53+/m0/s1
InChI key： MZCYZBNOWGLGGR-XHQYSJHXSA-N
SMILES： CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3)：
  • 3β-[2-O-β-D-ガラクトピラノシル-3-O-(2-O-β-D-グルコピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラヌロノシルオキシ]オレアナ-12-エン-16α,22α,23,28-テトラオール
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8,9-ジヒドロキシ-4,8a-ビス(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-4-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3-ヒドロキシ-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)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,4R,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • デスアシルカメリアサポニンC
  • Desacylcamelliasaponin C
  • 3β-[2-O-β-D-Galactopyranosyl-3-O-(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranuronosyloxy]olean-12-ene-16α,22α,23,28-tetrol
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