CID 42608306

(-)-14-serratene

Structural Information

Molecular Formula
C30H50
SMILES
C[C@@]12CCC3[C@@](C1CC[C@H]4C(=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C2)(CCCC3(C)C)C
InChI
InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,28-,29+,30-/m0/s1
InChIKey
NIALLGCBSYYMNQ-RYUGGBRLSA-N
Compound name
(3S,11S,15S,16S,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.39127 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39855 205.0
[M+Na]+ 433.38049 208.6
[M-H]- 409.38399 209.5
[M+NH4]+ 428.42509 227.1
[M+K]+ 449.35443 200.9
[M+H-H2O]+ 393.38853 194.2
[M+HCOO]- 455.38947 206.3
[M+CH3COO]- 469.40512 210.2
[M+Na-2H]- 431.36594 203.3
[M]+ 410.39072 192.8
[M]- 410.39182 192.8
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.