CID 160265

25-isosolafloridine

Structural Information

Molecular Formula
C27H45NO2
SMILES
C[C@H]1CCC(=NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI
InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,29-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25?,26-,27-/m0/s1
InChIKey
HFOSABNORYNULM-QMOSAJSQSA-N
Compound name
(3S,5S,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.34503 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.35231 210.0
[M+Na]+ 438.33425 210.9
[M-H]- 414.33775 211.7
[M+NH4]+ 433.37885 225.9
[M+K]+ 454.30819 204.0
[M+H-H2O]+ 398.34229 201.2
[M+HCOO]- 460.34323 209.6
[M+CH3COO]- 474.35888 214.0
[M+Na-2H]- 436.31970 202.6
[M]+ 415.34448 197.8
[M]- 415.34558 197.8
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

No patent data available for this compound.