CID 131751573

(3beta,11alpha,13beta)-3,11,13-oleananetriol

Structural Information

Molecular Formula
C30H52O3
SMILES
CC1(CCC2(CCC3(C4(CCC5C(C(CCC5(C4C(CC3(C2C1)O)O)C)O)(C)C)C)C)C)C
InChI
InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3
InChIKey
PVMLWBWORNCCPQ-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

460.39163 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.398906 212.3
[M+Na]+ 483.380848 218.5
[M-H]- 459.384354 212.4
[M+NH4]+ 478.425453 236.0
[M+K]+ 499.354788 212.3
[M+H-H2O]+ 443.388890 203.2
[M+HCOO]- 505.389831 207.9
[M+CH3COO]- 519.405481 216.8
[M+Na-2H]- 481.366296 212.8
[M]+ 460.39108142 204.5
[M]- 460.39217858 204.5
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.