CID 42608423

14-nor-24-methyl-9beta,19-cyclo-lanostan-3beta-ol

Structural Information

Molecular Formula
C30H52O
SMILES
CC(C)C(C)CCC(C)[C@H]1CCC2[C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)O)C
InChI
InChI=1S/C30H52O/c1-19(2)20(3)8-9-21(4)22-10-11-23-24-12-13-25-27(5,6)26(31)14-15-30(25)18-29(24,30)17-16-28(22,23)7/h19-26,31H,8-18H2,1-7H3/t20?,21?,22-,23?,24?,25?,26+,28-,29+,30-/m1/s1
InChIKey
KRGVPDKYNCOXQO-GIINGCBPSA-N
Compound name
(1S,3R,6S,15R,16R)-15-(5,6-dimethylheptan-2-yl)-7,7,16-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

428.40182 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 208.0
[M+Na]+ 451.39104 210.4
[M-H]- 427.39454 211.5
[M+NH4]+ 446.43564 224.6
[M+K]+ 467.36498 206.4
[M+H-H2O]+ 411.39908 202.9
[M+HCOO]- 473.40002 207.8
[M+CH3COO]- 487.41567 235.4
[M+Na-2H]- 449.37649 202.1
[M]+ 428.40127 205.2
[M]- 428.40237 205.2
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.