Catalog Number:
AG001HY4
Chemical Name:
9-Dihydro-13-acetylbaccatin III
CAS Number:
142203-65-4
Molecular Formula:
C33H42O12
Molecular Weight:
630.6794
MDL Number:
MFCD25541752
IUPAC Name:
[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChI:
InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
InChI Key:
WPPPFZJNKLMYBW-FAEUQDRCSA-N
SMILES:
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)O)C)O)OC(=O)C
EC Number:
604-277-4
