Chem
J-GLOBAL ID：200907001680779780   Nikkaji number：J1.164.148B

AzIII

3β-[[2-O-(2-O-α-L-ラムノピラノシル-β-D-グルコピラヌロノシル)-β-D-グルコピラヌロノシル]オキシ]-22β-[[(3,4-ジヒドロ-4-オキソ-5-ヒドロキシ-6-メチル-2H-ピラン)-2-イル]オキシ]オレアナ-12-エン-24-オール
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： C54H82O22
Molecular formula furigana： C54-H82-O22
Molecular weight： 1083.228
InChI： InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)/t23-,25-,27+,28+,29-,30+,31?,33-,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1
InChI key： MISLOXVLNGPFID-KBWJLUHLSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](OC6CC(=O)C(=C(C)O6)O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[[2-O-(2-O-α-L-ラムノピラノシル-β-D-グルコピラヌロノシル)-β-D-グルコピラヌロノシル]オキシ]-22β-[[(3,4-ジヒドロ-4-オキソ-5-ヒドロキシ-6-メチル-2H-ピラン)-2-イル]オキシ]オレアナ-12-エン-24-オール
  • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(5-ヒドロキシ-6-メチル-4-オキソ-3,4-ジヒドロ-2H-ピラン-2-イル)オキシ]-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-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}-6-カルボキシ-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-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-{[(2R,3R,4S,5S,6S)-2-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (2)：
  • 3β-[[2-O-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranuronosyl)-β-D-glucopyranuronosyl]oxy]-22β-[[(3,4-dihydro-4-oxo-5-hydroxy-6-methyl-2H-pyran)-2-yl]oxy]oleana-12-ene-24-ol
  • AzIII
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