Chem
J-GLOBAL ID:200907008427554229
Nikkaji number:J436.950E
Semduramicin
セムズラマイシン
Download MOL file
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:
C45 H76 O16
Molecular formula furigana:
C45-H76-O16
Molecular weight:
873.087
InChI:
InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
InChI key:
WINSLRIENGBHSH-QURFWJSMSA-N
SMILES:
CO[C@H]1CC[C@H](O[C@H]2C[C@@H](O[C@H]2[C@]2(C)CC[C@@H](O2)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@H](C)[C@@H]3O[C@](O)(CC(=O)O)[C@@H](C)[C@H](O)[C@H]3OC)O2)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)O[C@@H]1C
Systematic name (4):
センズラミシン
センズラマイシン
2-[(2R,3S,4S,5R,6S)-2,4-ジヒドロキシ-6-[(1S)-1-[(2S,5R,7S,8R,9S)-9-ヒドロキシ-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6S)-6-ヒドロキシ-3,5,6-トリメチルオキサン-2-イル]-3'-{[(2S,5S,6R)-5-メトキシ-6-メチルオキサン-2-イル]オキシ}-2-メチル-[2,2'-ビオキソラン]-5-イル]-2,8-ジメチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]エチル]-5-メトキシ-3-メチルオキサン-2-イル]酢酸
2-[(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3'-{[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-2-methyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-methoxy-3-methyloxan-2-yl]acetic acid
Other name (5):
UK-61689
Semduramicin
セムズラマイシン
センジュラマイシン
Semduramycin
CAS registry number:
113378-31-7
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