CID 15432633

Dammara-20,24-diene

Structural Information

Molecular Formula
C30H50
SMILES
CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C)C
InChI
InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1
InChIKey
SEXOMBPXHYAKHY-YCJSVCQFSA-N
Compound name
(5S,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39855 211.7
[M+Na]+ 433.38049 218.4
[M+NH4]+ 428.42509 226.2
[M+K]+ 449.35443 204.0
[M-H]- 409.38399 214.3
[M+Na-2H]- 431.36594 214.1
[M]+ 410.39072 214.0
[M]- 410.39182 214.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.