CID 131751389

Camelliol b

Structural Information

Molecular Formula
C30H52O
SMILES
CC1=C(C2CC(CCC2(CC1)C)(C)C)CC/C=C(\C)/CCC(=C(C)C)C(C)CCCO
InChI
InChI=1S/C30H52O/c1-22(2)26(24(4)12-10-20-31)15-14-23(3)11-9-13-27-25(5)16-17-30(8)19-18-29(6,7)21-28(27)30/h11,24,28,31H,9-10,12-21H2,1-8H3/b23-11+
InChIKey
KIXZDOGILWAHJH-FOKLQQMPSA-N
Compound name
(E)-11-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-4,8-dimethyl-5-propan-2-ylideneundec-8-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

428.40182 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 214.8
[M+Na]+ 451.39104 214.5
[M-H]- 427.39454 214.4
[M+NH4]+ 446.43564 229.2
[M+K]+ 467.36498 209.0
[M+H-H2O]+ 411.39908 209.1
[M+HCOO]- 473.40002 221.1
[M+CH3COO]- 487.41567 235.4
[M+Na-2H]- 449.37649 206.4
[M]+ 428.40127 212.3
[M]- 428.40237 212.3
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.