CID 14313597

Gamma-taraxastane-3,20-diol

Structural Information

Molecular Formula
C30H52O2
SMILES
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)O)C
InChI
InChI=1S/C30H52O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-24,31-32H,9-18H2,1-8H3
InChIKey
FDNWHCZIHBJRLP-UHFFFAOYSA-N
Compound name
1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.39673 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.404006 210.6
[M+Na]+ 467.385948 215.7
[M-H]- 443.389454 211.5
[M+NH4]+ 462.430553 233.8
[M+K]+ 483.359888 209.0
[M+H-H2O]+ 427.393990 200.7
[M+HCOO]- 489.394931 207.2
[M+CH3COO]- 503.410581 215.2
[M+Na-2H]- 465.371396 209.4
[M]+ 444.39618142 201.4
[M]- 444.39727858 201.4
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.