Chem
J-GLOBAL ID:201607002110013947
Nikkaji number:J3.493.001E
(-)-[14 C]-Homoharringtonine
(-)-[14 C]-ホモハリントニン
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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:
C28 [14 C]H39 NO9
Molecular formula furigana:
C29-H39-N-O9
Molecular weight:
547.621
InChI:
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1/i12+2
InChI key:
HYFHYPWGAURHIV-RQSDONNWSA-N
SMILES:
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3C[14CH2]N3CCC[C@]23C=C1OC
Systematic name (3):
(13S,14S,17R)-14-[[(2R)-2,6-ジヒドロキシ-2-(メトキシカルボニルメチル)-6-メチルヘプタノイル]オキシ]-15-メトキシ-7,9-ジオキサ-1-アザ(2-14 C)ペンタシクロ[15.3.0.04,12 .06,10 .013,17 ]イコサン-4,6(10),11,15-テトラエン
(2S,3S,6R)-4-メトキシ(11-14 C)-16,18-ジオキサ-10-アザペンタシクロ[11.7.0.02,6 .06,10 .015,19 ]イコサ-1(20),4,13,15(19)-テトラエン-3-イル 1-メチル (3R)-3-ヒドロキシ-3-(4-ヒドロキシ-4-メチルペンチル)ブタンジオアート
(2S,3S,6R)-4-methoxy(11-14 C)-16,18-dioxa-10-azapentacyclo[11.7.0.02,6 .06,10 .015,19 ]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3R)-3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate
Other name (3):
(13S,14S,17R)-14-[[(2R)-2,6-Dihydroxy-2-(methoxycarbonylmethyl)-6-methylheptanoyl]oxy]-15-methoxy-7,9-dioxa-1-aza(2-14 C)pentacyclo[15.3.0.04,12 .06,10 .013,17 ]icosane-4,6(10),11,15-tetraene
(-)-[14 C]-ホモハリントニン
(-)-[14 C]-Homoharringtonine
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