CID 157009968

25-hydroxy-24-methoxycycloartanol

Structural Information

Molecular Formula
C30H52O3
SMILES
C[C@H](CCC(C(C)O)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/C30H52O3/c1-19(8-9-22(33-7)20(2)31)21-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)5/h19-25,31-32H,8-18H2,1-7H3/t19-,20?,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey
KCKYABDSAUPMLI-XUDURKDJSA-N
Compound name
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-5-methoxyheptan-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

460.39163 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.39891 213.3
[M+Na]+ 483.38085 216.2
[M-H]- 459.38435 215.6
[M+NH4]+ 478.42545 229.7
[M+K]+ 499.35479 213.5
[M+H-H2O]+ 443.38889 209.8
[M+HCOO]- 505.38983 211.5
[M+CH3COO]- 519.40548 236.9
[M+Na-2H]- 481.36630 209.2
[M]+ 460.39108 212.9
[M]- 460.39218 212.9
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.