Calenduladiol 3-O-Palmitate

Product Specifications

CAS Number

110268-39-8

Hazard Statement

No Data Available

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@@H](O)C[C@@]34C)C(=C)C)C1(C)C

Molecular Formula

C46 H80 O3

Molecular Weight

681.126

InChI

InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(33(2)3)26-29-44(41,7)38(47)32-46(35,45)9/h34-39,41,47H,2,10-32H2,1,3-9H3/t34-,35+,36-,37+,38-,39-,41+,43-,44+,45+,46+/m0/s1

Additionnal Information

IUPAC name: [(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate