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浆果赤霉素IV
BaccatinIV
(2α,5β,7β,9α,10β,13α)-1-Hydroxy-5,20-epoxytax-11-ene-2,4,7,9,10,13-hexayl hexaacetate, Baccatin-IV, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12,12b-hexaacetate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-, baccatin-III
CAS号: 57672-77-2
IUPAC名称: [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] acetate
分子式: C32H44O14
分子量: 652.683
InChI: InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(45-19(6)37)26-30(10,22(42-16(3)34)11-23-31(26,13-40-23)46-20(7)38)27(44-18(5)36)25(43-17(4)35)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23+,25+,26-,27-,28-,30+,31-,32+/m0/s1
InChIKey: CCJGGIKEFAWREN-WBPIOOJSSA-N
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
EINECS: -
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