Chem
J-GLOBAL ID：200907020492341186   Nikkaji number：J77.630K

Candidin (Streptomyces)

カンジジン【Streptomyces】
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： C47H71NO17
Molecular formula furigana： C47-H71-N-O17
Molecular weight： 922.075
InChI： InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5-,9-7-,10-8-,13-11-,14-12-,17-15-,18-16-/t27-,28-,29-,30+,32+,33+,34-,35?,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
InChI key： IBRQTOKMQLIMRF-LVRJKVEMSA-N
SMILES： C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C(O)CCC(=O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
Systematic name  (3)：
  • 8,9-ジデオキシ-10-ヒドロキシ-7-オキソアンホテリシンB
  • (1S,3R,9S,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-アミノ-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,3,4,9,11,17,37-ヘプタヒドロキシ-15,16,18-トリメチル-7,13-ジオキソ-14,39-ジオキサビシクロ[33.3.1]ノナトリアコンタ-19,21,23,25,27,29,31-ヘプタエン-36-カルボン酸
  • (1S,3R,9S,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,9,11,17,37-heptahydroxy-15,16,18-trimethyl-7,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Other name (6)：
  • カンジジン
  • Candidine
  • Candidin
  • Candidin【Streptomyces】
  • 8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B
Show all
CAS registry number： 1405-90-9
Regulation number (2)：
  • EX4375000
  • EINECS2157883
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