57784-14-2
GIBBERELLIN A3 METHYL ESTER 3,13-DIACETATE
NameGIBBERELLIN A3 METHYL ESTER 3,13-DIACETATE
1Identification
【Name】
GIBBERELLIN A3 METHYL ESTER 3,13-DIACETATE
【CAS】
【MDL】
MFCD00057851
【English Synonyms】
【Formula】
C24 H28 O8
【MolWeight】
444.477
【Inchi】
InChI=1S/C24H28O8/c1-12-10-22-11-23(12,31-14(3)26)8-6-15(22)24-9-7-16(30-13(2)25)21(4,20(28)32-24)18(24)17(22)19(27)29-5/h7,9,15-18H,1,6,8,10-11H2,2-5H3/t15-,16+,17-,18-,21-,22+,23+,24-/m1/s1
【InChIKey】
InChIKey=IIIWPXACKNAFED-JQZXOIDBSA-N
【SMILES】
CC(=O)O[C@H]1C=C[C@@]23[C@@H]4CC[C@@]5(C[C@]4(CC5=C)[C@H]([C@@H]2[C@@]1(C(=O)O3)C)C(=O)OC)OC(=O)C
【MOL File】
GIBBERELLIN A3 METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GIBBERELLIN A3 METHYL ESTER 3,13-DIACETATE.cml