CID 12313294

Neriantogenin

Structural Information

Molecular Formula
C23H32O4
SMILES
CC12CCC(CC1CCC3C2CCC4(C3C(C=C4C5=CC(=O)OC5)O)C)O
InChI
InChI=1S/C23H32O4/c1-22-7-5-15(24)10-14(22)3-4-16-17(22)6-8-23(2)18(11-19(25)21(16)23)13-9-20(26)27-12-13/h9,11,14-17,19,21,24-25H,3-8,10,12H2,1-2H3
InChIKey
LOUCJBIZSPLEFL-UHFFFAOYSA-N
Compound name
3-(3,15-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.23007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23735 190.2
[M+Na]+ 395.21929 198.3
[M+NH4]+ 390.26389 201.6
[M+K]+ 411.19323 192.2
[M-H]- 371.22279 194.3
[M+Na-2H]- 393.20474 190.9
[M]+ 372.22952 192.6
[M]- 372.23062 192.6
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.