Analyte Name

Arnidiol 3-Myristate

CAS Number

357419-16-0

Molecular Formula

C44 H76 O3

Molecular Weight

653.072

Accurate Mass

652.579

SMILES

CCCCCCCCCCCCCC(=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](C)C(=C)CC[C@]5(C)[C@@H](O)C[C@@]34C)C1(C)C

InChI

InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1

IUPAC

[(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] tetradecanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat