CID 101280214

24-methyl-24-methoxycycloartanol

Structural Information

Molecular Formula
C32H56O2
SMILES
C[C@H](CCC(C)(C(C)C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI
InChI=1S/C32H56O2/c1-21(2)30(8,34-9)16-12-22(3)23-13-15-29(7)25-11-10-24-27(4,5)26(33)14-17-31(24)20-32(25,31)19-18-28(23,29)6/h21-26,33H,10-20H2,1-9H3/t22-,23-,24+,25+,26+,28-,29+,30?,31-,32+/m1/s1
InChIKey
KJZFRJMMSQEEPG-FFMUYPJPSA-N
Compound name
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-methoxy-5,6-dimethylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[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

472.42804 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.43532 217.4
[M+Na]+ 495.41726 220.4
[M-H]- 471.42076 220.7
[M+NH4]+ 490.46186 234.1
[M+K]+ 511.39120 217.8
[M+H-H2O]+ 455.42530 213.5
[M+HCOO]- 517.42624 215.7
[M+CH3COO]- 531.44189 242.0
[M+Na-2H]- 493.40271 214.8
[M]+ 472.42749 217.8
[M]- 472.42859 217.8
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.