CID 637210

Mulinane diterpenoid

Structural Information

Molecular Formula
C20H34O
SMILES
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3([C@]24C[C@H]4[C@@](CC3)(C)O)C)C
InChI
InChI=1S/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKey
LIXXTIXZQFXCDM-KSLKBLKXSA-N
Compound name
(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 173.5
[M+Na]+ 313.25018 181.0
[M-H]- 289.25368 178.3
[M+NH4]+ 308.29478 195.4
[M+K]+ 329.22412 177.9
[M+H-H2O]+ 273.25822 169.9
[M+HCOO]- 335.25916 181.7
[M+CH3COO]- 349.27481 183.1
[M+Na-2H]- 311.23563 175.0
[M]+ 290.26041 172.7
[M]- 290.26151 172.7
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.