58821-98-0
12-DEOXYPHORBOL 13-PHENYLACETATE
Name12-DEOXYPHORBOL 13-PHENYLACETATE
1Identification
【Name】
12-DEOXYPHORBOL 13-PHENYLACETATE
【CAS】
【MDL】
MFCD00792619
【English Synonyms】
【Formula】
C28 H34 O6
【MolWeight】
466.571
【Inchi】
InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3/t17-,20+,21-,23-,26-,27+,28-/m1/s1
【InChIKey】
InChIKey=JAMGGIDPOXFRAM-XASYBOBESA-N
【SMILES】
C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)Cc5ccccc5
【MOL File】
12-DEOXYPHORBOL 13-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
12-DEOXYPHORBOL 13-PHENYLACETATE.cml