CID 471007

Ganoderiol b

Structural Information

Molecular Formula
C30H46O4
SMILES
C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI
InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1
InChIKey
SZCAPUAJXOKPIR-AHHFHQBHSA-N
Compound name
(5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

8
Patents

470.3396 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.346876 218.1
[M+Na]+ 493.328818 222.5
[M-H]- 469.332324 217.9
[M+NH4]+ 488.373423 237.2
[M+K]+ 509.302758 215.6
[M+H-H2O]+ 453.336860 213.6
[M+HCOO]- 515.337801 220.6
[M+CH3COO]- 529.353451 235.5
[M+Na-2H]- 491.314266 214.2
[M]+ 470.33905142 215.3
[M]- 470.34014858 215.3
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.