Chem
J-GLOBAL ID：200907026813400072   Nikkaji number：J1.623.684E

Camellioside B

カメリオシド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： C55H86O25
Molecular formula furigana： C55-H86-O25
Molecular weight： 1147.268
InChI： InChI=1S/C55H86O25/c1-22(59)72-40-27(21-58)75-47(38(67)36(40)65)80-44-41(77-48-43(35(64)33(62)26(20-57)74-48)79-46-37(66)34(63)32(61)25(19-56)73-46)39(68)42(45(69)70)78-49(44)76-31-12-13-52(6)28(51(31,4)5)11-14-53(7)29(52)10-9-23-24-17-50(2,3)15-16-55(24,71)30(60)18-54(23,53)8/h9,24-29,31-44,46-49,56-58,61-68,71H,10-21H2,1-8H3,(H,69,70)/t24-,25+,26+,27+,28-,29+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44+,46-,47-,48-,49+,52-,53+,54+,55+/m0/s1
InChI key： LMZLCIKMDCPHLL-QWSKOPIRSA-N
SMILES： CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(O)C(=O)C[C@@]54C)C3(C)C)O[C@@H]([C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O)O[C@@H]1CO
Systematic name  (3)：
  • 3β-[3-O-[2-O-(β-D-グルコピラノシル)-β-D-ガラクトピラノシル]-2-O-(4-O-アセチル-β-D-ガラクトピラノシル)-β-D-グルコピラヌロノシルオキシ]-17-ヒドロキシ-28-ノル-5α-オレアナ-12-エン-16-オン
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-ヒドロキシ-4,4,6a,6b,11,11,14b-ヘプタメチル-8-オキソ-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}-5-{[(2S,3R,4R,5R,6R)-5-(アセチルオキシ)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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-ヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4R,5R,6R)-5-(acetyloxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoxane-2-carboxylic acid
Other name (3)：
  • 3β-[3-O-[2-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyl]-2-O-(4-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranuronosyloxy]-17-hydroxy-28-nor-5α-oleana-12-ene-16-one
  • Camellioside B
  • カメリオシドB
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