Catalog Number:
AG000FR1
Chemical Name:
Pseudolaric acid d
CAS Number:
115028-67-6
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
MDL Number:
MFCD20260425
IUPAC Name:
(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
InChI:
InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1
InChI Key:
WUENWZUJMIZJPA-UBTCDGAASA-N
SMILES:
OC[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C1)C(=O)O)C
