CID 102004381

Ganoderate tr

Structural Information

Molecular Formula
C30H44O4
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI
InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23?,25+,28-,29-,30-/m1/s1
InChIKey
SNZQBBATMLGADX-UXRQJHJJSA-N
Compound name
(E,6R)-6-[(10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.32397 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.33125 214.9
[M+Na]+ 491.31319 219.6
[M-H]- 467.31669 216.0
[M+NH4]+ 486.35779 234.5
[M+K]+ 507.28713 213.5
[M+H-H2O]+ 451.32123 210.6
[M+HCOO]- 513.32217 218.0
[M+CH3COO]- 527.33782 237.9
[M+Na-2H]- 489.29864 210.4
[M]+ 468.32342 212.5
[M]- 468.32452 212.5
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.