Chem
J-GLOBAL ID:200907002704409888
Nikkaji number:J1.625.653F
SDZ ASM 981
SDZ ASM 981
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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:
C43 H68 ClNO11
Molecular formula furigana:
C43-H68-CL-N-O11
Molecular weight:
810.460
InChI:
InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29+,30-,31-,32-,33-,35+,36?,37-,38+,39+,43+/m0/s1
InChI key:
KASDHRXLYQOAKZ-FXZSBKHASA-N
SMILES:
CC[C@H]1/C=C(\C)/C[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](Cl)[C@@H](C1)OC)/C
Systematic name (3):
(1R,9S,12S,13R,14S,17S,18E,21S,23S,24R,25S,27R)-1,14-ジヒドロキシ-12-[(E)-1-メチル-2-[(1S)-3β-メトキシ-4β-クロロシクロヘキシル]エテニル]-13,19,21,27-テトラメチル-17-エチル-23,25-ジメトキシ-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,17S,18E,21S,23S,24R,25S,27R)-12-[(1E)-1-[(1S,3R,4S)-4-クロロ-3-メトキシシクロヘキシル]プロパ-1-エン-2-イル]-17-エチル-1,14-ジヒドロキシ-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,17S,18E,21S,23S,24R,25S,27R)-12-[(1E)-1-[(1S,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-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 (6):
(1R,9S,12S,13R,14S,17S,18E,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[(E)-1-methyl-2-[(1S)-3β-methoxy-4β-chlorocyclohexyl]ethenyl]-13,19,21,27-tetramethyl-17-ethyl-23,25-dimethoxy-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacosa-18-ene-2,3,10,16-tetrone
ピメクロリムス
Pimecrolimus
SDZ ASM-981
SDZ-ASM-981
SDZ ASM 981
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CAS registry number:
137071-32-0
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