CID 6476390

Camelliol c

Structural Information

Molecular Formula
C30H50O
SMILES
CC1=CC[C@@H](C([C@@H]1CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)(C)C)O
InChI
InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1
InChIKey
CIDHBCQEXDUWEB-HJSIMFEZSA-N
Compound name
(1S,5R)-4,6,6-trimethyl-5-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

8
Patents

426.38617 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.393446 214.4
[M+Na]+ 449.375388 214.8
[M-H]- 425.378894 213.8
[M+NH4]+ 444.419993 226.4
[M+K]+ 465.349328 208.0
[M+H-H2O]+ 409.383430 208.5
[M+HCOO]- 471.384371 224.6
[M+CH3COO]- 485.400021 234.8
[M+Na-2H]- 447.360836 204.0
[M]+ 426.38562142 214.6
[M]- 426.38671858 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.