CID 131751069

(3beta,4alpha,5alpha,23e)-4,14-dimethyl-9,19-cycloergost-23-en-3-ol

Structural Information

Molecular Formula
C30H50O
SMILES
CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)C/C=C(\C)/C(C)C)C
InChI
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+
InChIKey
PAIRQWYDVRILJI-DNTJNYDQSA-N
Compound name
15-[(E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.393446 207.3
[M+Na]+ 449.375388 210.0
[M-H]- 425.378894 210.9
[M+NH4]+ 444.419993 223.9
[M+K]+ 465.349328 205.4
[M+H-H2O]+ 409.383430 202.3
[M+HCOO]- 471.384371 207.3
[M+CH3COO]- 485.400021 234.2
[M+Na-2H]- 447.360836 201.4
[M]+ 426.38562142 203.7
[M]- 426.38671858 203.7
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.