Analyte Name

2-Oxofriedel-3-ene

CAS Number

78098-21-2

Molecular Formula

C28 H44 O

Molecular Weight

396.648

Accurate Mass

396.339

SMILES

CC1=CC(=O)C[C@H]2[C@@H]3CC[C@]4(C)[C@H](CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@H]3CC[C@]12C

InChI

InChI=1S/C28H44O/c1-18-15-19(29)16-23-21-8-12-28(6)22(20(21)7-11-27(18,23)5)9-10-26(4)14-13-25(2,3)17-24(26)28/h15,20-24H,7-14,16-17H2,1-6H3/t20-,21+,22+,23-,24+,26-,27+,28+/m0/s1

IUPAC

(4aS,6aS,6aR,6bR,8aS,12aR,14aR,14bS)-4,4a,6a,8a,11,11-hexamethyl-5,6,6a,6b,7,8,9,10,12,12a,13,14,14a,14b-tetradecahydro-1H-picen-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat