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]+ 445.40401 210.6
[M+Na]+ 467.38595 215.7
[M-H]- 443.38945 211.5
[M+NH4]+ 462.43055 233.8
[M+K]+ 483.35989 209.0
[M+H-H2O]+ 427.39399 200.7
[M+HCOO]- 489.39493 207.2
[M+CH3COO]- 503.41058 215.2
[M+Na-2H]- 465.37140 209.4
[M]+ 444.39618 201.4
[M]- 444.39728 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.