Catalog Number:
AG00GU8M
Chemical Name:
Ingenol-5,20-acetonide-3-O-angelate
CAS Number:
87980-68-5
Molecular Formula:
C28H38O6
Molecular Weight:
470.5977
MDL Number:
MFCD28411512
IUPAC Name:
[(1S,4S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl] (Z)-2-methylbut-2-enoate
InChI:
InChI=1S/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22+,23-,27+,28?/m1/s1
InChI Key:
STFFIQHUWFISBB-PDIBALFOSA-N
SMILES:
C/C=C(\C(=O)O[C@H]1C(=C[C@]23C1(O)[C@@H]1OC(C)(C)OCC1=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)C)/C
