CID 14357350

Y-taraxastanonol

Structural Information

Molecular Formula
C30H50O2
SMILES
CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)C
InChI
InChI=1S/C30H50O2/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/h19-22,24,32H,9-18H2,1-8H3
InChIKey
VCUCVBNQZJFUDR-UHFFFAOYSA-N
Compound name
11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 211.8
[M+Na]+ 465.37029 219.5
[M+NH4]+ 460.41489 228.7
[M+K]+ 481.34423 201.2
[M-H]- 441.37379 215.0
[M+Na-2H]- 463.35574 216.3
[M]+ 442.38052 214.8
[M]- 442.38162 214.8
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.