Chem
J-GLOBAL ID:200907020729224660
Nikkaji number:J788.385D
WB-2663A
(2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(クロロメチル)-3,4,6-トリヒドロキシ-6-メチルオキサン-2-イル]-3-メチルペンタ-2,4-ジエン-1-イル]-2,5-ジメチルオキサン-3-イル]カルバモイル}ブタ-3-エン-2-イル アセタート
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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:
C27 H42 ClNO8
Molecular formula furigana:
C27-H42-CL-N-O8
Molecular weight:
544.080
InChI:
InChI=1S/C27H42ClNO8/c1-16(8-11-23-25(32)27(34,15-28)14-26(6,33)37-23)7-10-22-17(2)13-21(19(4)36-22)29-24(31)12-9-18(3)35-20(5)30/h7-9,11-12,17-19,21-23,25,32-34H,10,13-15H2,1-6H3,(H,29,31)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1
InChI key:
RONUKPQOBQKEHX-QHYZBLTGSA-N
SMILES:
C[C@H](OC(=O)C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(\C)/C=C/[C@H]2O[C@](C)(O)C[C@@](O)(CCl)[C@@H]2O)O[C@@H]1C
Systematic name (3):
酢酸(1S,2Z)-1-メチル-4-オキソ-4-[[[(2R,3R,5S,6S)-2,5-ジメチル-6-[(2E,4E)-3-メチル-5-[[(2R,3R,4S,6S)-3,4,6-トリヒドロキシ-4-クロロメチル-6-メチルテトラヒドロ-2H-ピラン]-2-イル]-2,4-ペンタジエニル]テトラヒドロ-2H-ピラン]-3-イル]アミノ]-2-ブテニル
(2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(クロロメチル)-3,4,6-トリヒドロキシ-6-メチルオキサン-2-イル]-3-メチルペンタ-2,4-ジエン-1-イル]-2,5-ジメチルオキサン-3-イル]カルバモイル}ブタ-3-エン-2-イル アセタート
(2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dien-1-yl]-2,5-dimethyloxan-3-yl]carbamoyl}but-3-en-2-yl acetate
Other name (3):
FR-901463
Acetic acid (1S,2Z)-1-methyl-4-oxo-4-[[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[[(2R,3R,4S,6S)-3,4,6-trihydroxy-4-chloromethyl-6-methyltetrahydro-2H-pyran]-2-yl]-2,4-pentadienyl]tetrahydro-2H-pyran]-3-yl]amino]-2-butenyl ester
WB-2663A
CAS registry number:
146478-74-2
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