PFAS
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戊曲酯，缬草三酯
Valepotriate
[(1S,6S,7aS)-4-(乙酰氧甲基)-1-(3-甲基丁酰氧基)螺[6,7a-二氢-1H-环戊并[c]吡喃-7,2'-环氧乙烷]-6-基] 3-甲基丁酸酯
,
缬草三酯, Butanoic acid, 3-methyl-, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester, (1S,6S,7R,7aS)-4-(Acetoxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate), tolterodine, Baldrisedon, (1S-(1a,6a,7b,7aa))-3-Methylbutanoic Acid 4-((Acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta[c]pyran-7(1H),2'-oxirane)-1,6-diyl Ester, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate), valepotriate, ValtratuM, Halazuchrome B, ValepotriatuM, EINECS 242-174-2
CAS号: 18296-44-1
IUPAC名称: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
分子式: C22H30O8
分子量: 422.469
InChI: InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey: BDIAUFOIMFAIPU-KVJIRVJXSA-N
SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
EINECS: 暂无
