CID 156587292

Ganoderate jc

Structural Information

Molecular Formula
C30H46O5
SMILES
C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CCC3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI
InChI=1S/C30H46O5/c1-17(14-19(31)15-18(2)26(34)35)22-16-25(33)30(7)21-8-9-23-27(3,4)24(32)11-12-28(23,5)20(21)10-13-29(22,30)6/h8,15,17,19-20,22-23,25,31,33H,9-14,16H2,1-7H3,(H,34,35)/b18-15+/t17-,19+,20?,22-,23?,25+,28-,29-,30-/m1/s1
InChIKey
RVTSXHDSOOAMMG-LGEXOZOLSA-N
Compound name
(E,4S,6R)-4-hydroxy-6-[(10R,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.33453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.34181 218.7
[M+Na]+ 509.32375 221.7
[M-H]- 485.32725 217.8
[M+NH4]+ 504.36835 236.7
[M+K]+ 525.29769 216.6
[M+H-H2O]+ 469.33179 215.9
[M+HCOO]- 531.33273 217.9
[M+CH3COO]- 545.34838 239.5
[M+Na-2H]- 507.30920 212.7
[M]+ 486.33398 214.3
[M]- 486.33508 214.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.