Analyte Name

Calenduladiol 3-Laurate

CAS Number

825631-02-5

Molecular Formula

C42 H72 O3

Molecular Weight

625.019

Accurate Mass

624.548

SMILES

CCCCCCCCCCCC(=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

InChI

InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(29(2)3)22-25-40(37,7)34(43)28-42(31,41)9/h30-35,37,43H,2,10-28H2,1,3-9H3/t30-,31+,32-,33+,34-,35-,37+,39-,40+,41+,42+/m0/s1

IUPAC

[(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] dodecanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat