Catalog Number:
AG00G3R6
Chemical Name:
Ingenol-5,20-acetonide
CAS Number:
77573-43-4
Molecular Formula:
C23H32O5
Molecular Weight:
388.4972
MDL Number:
MFCD28411511
IUPAC Name:
(1S,4S,6R,13S,14R,16R,18R)-4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one
InChI:
InChI=1S/C23H32O5/c1-11-9-22-12(2)7-15-16(20(15,3)4)14(18(22)25)8-13-10-27-21(5,6)28-19(13)23(22,26)17(11)24/h8-9,12,14-17,19,24,26H,7,10H2,1-6H3/t12-,14+,15-,16+,17+,19-,22+,23?/m1/s1
InChI Key:
ONMDPPVVEFWDOD-VMUSEIHCSA-N
SMILES:
CC1=C[C@]23C([C@H]1O)(O)[C@@H]1OC(C)(C)OCC1=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C
