CID 14109413

17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthrene-11,15-dione

Structural Information

Molecular Formula
C24H34O5
SMILES
CC(=O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C
InChI
InChI=1S/C24H34O5/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/h13-14,16-17,26,28H,7-11H2,1-6H3
InChIKey
NKQOQQOOZLPVEV-UHFFFAOYSA-N
Compound name
17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

8
Patents

402.24063 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24791 191.1
[M+Na]+ 425.22985 199.6
[M-H]- 401.23335 193.7
[M+NH4]+ 420.27445 214.0
[M+K]+ 441.20379 194.4
[M+H-H2O]+ 385.23789 187.9
[M+HCOO]- 447.23883 197.0
[M+CH3COO]- 461.25448 225.0
[M+Na-2H]- 423.21530 190.6
[M]+ 402.24008 189.3
[M]- 402.24118 189.3
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