Chem
J-GLOBAL ID：200907061694659992   Nikkaji number：J643.906C

L-685818

L-685818
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： C43H69NO13
Molecular formula furigana： C43-H69-N-O13
Molecular weight： 808.019
InChI： InChI=1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26-,27-,28+,29-,30+,31-,32+,34-,35?,36+,37-,38-,39-,43-/m1/s1
InChI key： NOQNPBXNHMZMTC-QVTMKGIUSA-N
SMILES： CC[C@@H]1/C=C(\C)/[C@@H](O)[C@H](C)CC(OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)/C(=C/[C@@H]1CC[C@@H](O)[C@@H](C1)OC)/C
Systematic name  (3)：
  • (3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-エチル-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-ヘキサデカヒドロ-5,11,19-トリヒドロキシ-3-[(E)-2-[(1R,3R,4R)-4-ヒドロキシ-3-メトキシシクロヘキシル]-1-メチルエテニル]-14,16-ジメトキシ-4,10,12,18-テトラメチル-15,19-エポキシ-3H-ピリド[2,1-c][1,4]オキサアザシクロトリコシン-1,7,20,21(4H,23H)-テトラオン
  • (1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-エチル-1,14,20-トリヒドロキシ-12-[(1Z)-1-[(1R,3R,4R)-4-ヒドロキシ-3-メトキシシクロヘキシル]プロパ-1-エン-2-イル]-23,25-ジメトキシ-13,19,21,27-テトラメチル-11,28-ジオキサ-4-アザトリシクロ[22.3.1.04,9]オクタコサ-18-エン-2,3,10,16-テトラオン
  • (1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-ethyl-1,14,20-trihydroxy-12-[(1Z)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Other name (1)：
  • L-685818
CAS registry number： 143839-74-1
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