Catalog Number:
AG00G9SX
Chemical Name:
glaucocalyxin B
CAS Number:
80508-81-2
Molecular Formula:
C22H30O5
Molecular Weight:
374.4706
MDL Number:
MFCD28144511
IUPAC Name:
[(1R,2R,4S,9R,10S,13S,16R)-2-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
InChI:
InChI=1S/C22H30O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(25)22(14,18(11)26)19(13)27-12(2)23/h13-15,17,19,25H,1,6-10H2,2-5H3/t13-,14-,15+,17+,19+,21-,22-/m0/s1
InChI Key:
LSUXOKVMORWDLT-KEXKRWMXSA-N
SMILES:
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@H](O)C[C@H]1[C@@]3(C)CCC(=O)C1(C)C)C(=O)C2=C
