CID 14109415

Chebi:175244

Structural Information

Molecular Formula
C24H36O5
SMILES
CC(=O)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O
InChI
InChI=1S/C24H36O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-18,26,28-29H,7-11H2,1-6H3
InChIKey
JEVOHZHOHSNOGF-UHFFFAOYSA-N
Compound name
17-acetyl-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

404.2563 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26358 194.1
[M+Na]+ 427.24552 202.0
[M-H]- 403.24902 195.3
[M+NH4]+ 422.29012 216.4
[M+K]+ 443.21946 196.6
[M+H-H2O]+ 387.25356 191.2
[M+HCOO]- 449.25450 198.2
[M+CH3COO]- 463.27015 223.7
[M+Na-2H]- 425.23097 193.0
[M]+ 404.25575 191.3
[M]- 404.25685 191.3
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

patents stripe