CID 14109415

Schembl30259192

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

1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.