CID 13934285

Ganodermadiol

Structural Information

Molecular Formula
C30H48O2
SMILES
CC(CC/C=C(\C)/CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
InChI
InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+
InChIKey
AOXXVRDKZLRGTJ-AWQFTUOYSA-N
Compound name
17-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

80
Patents

440.36542 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.37270 214.4
[M+Na]+ 463.35464 218.4
[M-H]- 439.35814 215.3
[M+NH4]+ 458.39924 235.3
[M+K]+ 479.32858 211.0
[M+H-H2O]+ 423.36268 208.7
[M+HCOO]- 485.36362 217.9
[M+CH3COO]- 499.37927 232.7
[M+Na-2H]- 461.34009 210.1
[M]+ 440.36487 210.3
[M]- 440.36597 210.3
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.