CID 344467

Epitaraxerol

Structural Information

Molecular Formula
C30H50O
SMILES
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3
InChIKey
GGGUGZHBAOMSFJ-UHFFFAOYSA-N
Compound name
4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

98
References

1267
Patents

426.38617 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 206.3
[M+Na]+ 449.37539 211.9
[M-H]- 425.37889 208.8
[M+NH4]+ 444.41999 230.6
[M+K]+ 465.34933 204.9
[M+H-H2O]+ 409.38343 194.8
[M+HCOO]- 471.38437 205.8
[M+CH3COO]- 485.40002 211.9
[M+Na-2H]- 447.36084 206.1
[M]+ 426.38562 198.0
[M]- 426.38672 198.0
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

patents stripe