芸苔素内酯

pro_cas
80483-89-2
pro_cdbregno
CCD00480107
pro_formula
C29 H50 O6
pro_molWeight
494.708

basic_info

Product_Name: 芸苔素内酯
CAS: 80483-89-2
中文同义词: 芸苔素内酯
EnglishSynonyms: ISOHOMOBRASSINOLIDE ; (1R,3AS,3BS,6AS,8S,9R,10AR,10BS,12AS)-1-[(1S,2S,3S,4S)-4-ETHYL-2,3-DIHYDROXY-1,5-DIMETHYLHEXYL]HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-6H-BENZ[C]INDENO[5,4-E]OXEPIN-6-ONE ; BR 120 ; (22S,23S)-28-HOMOBRASSINOLIDE ; 28-HOMOBRASSINOLIDE
pro_mdlNumber: MFCD04973608
pro_acceptors: 6
pro_donors: 4
pro_smile: CC[C@@H](C(C)C)[C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O
InChi: InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-,26-,28+,29+/m0/s1
InChiKey: InChIKey=HJIKODJJEORHMZ-DNVPGCTHSA-N

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