CID 131751395

16?-hydroxybauerenol

Structural Information

Molecular Formula
C30H50O2
SMILES
CC1CCC2(C(CC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)O)C
InChI
InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3
InChIKey
RSBGODIKJNCIHA-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 212.8
[M+Na]+ 465.37029 221.4
[M+NH4]+ 460.41489 228.7
[M+K]+ 481.34423 204.4
[M-H]- 441.37379 216.2
[M+Na-2H]- 463.35574 216.2
[M]+ 442.38052 215.9
[M]- 442.38162 215.9
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.