Chem
J-GLOBAL ID：200907077127340482   Nikkaji number：J34.304H

Alborixin

アルボリキシン
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： C48H84O14
Molecular formula furigana： C48-H84-O14
Molecular weight： 885.186
InChI： InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41+,43-,44+,45+,46-,47-,48-/m1/s1
InChI key： WWDHGOLBPBWCNJ-BDJGSJGKSA-N
SMILES： CC[C@@H]1O[C@H](CC[C@@]1(C)O)[C@]1(C)C[C@@H](C)[C@@](O)(O1)[C@]1(C)CC[C@H](O1)[C@H](O)[C@]1(O)O[C@H](C[C@@]2(O)O[C@H](CC[C@@H]2C)[C@@H](C)[C@H](O)C[C@@H]2O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]2C)[C@@H](C)C[C@H]1C
Systematic name  (3)：
  • アルボリキシン
  • (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-{[(2R,3S,5R,6R)-6-[(S)-[(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-エチル-5-ヒドロキシ-5-メチルオキサン-2-イル]-2'-ヒドロキシ-2,3',5'-トリメチル-[2,2'-ビオキソラン]-5-イル](ヒドロキシ)メチル]-6-ヒドロキシ-3,5-ジメチルオキサン-2-イル]メチル}-6-ヒドロキシ-5-メチルオキサン-2-イル]-2-ヒドロキシブチル]-3,5-ジメチルオキサン-2-イル]プロパン酸
  • (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-{[(2R,3S,5R,6R)-6-[(S)-[(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2'-hydroxy-2,3',5'-trimethyl-[2,2'-bioxolan]-5-yl](hydroxy)methyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl}-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid
Other name (3)：
  • 抗生物質S-14750A
  • Alborixin
  • Antibiotic S-14750A
CAS registry number： 57760-36-8
Regulation number (1)：
  • AY9195000
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