CID 23623461

102305-50-0

Structural Information

Molecular Formula
C23H34O5
SMILES
C[C@]12CC[C@@H](C[C@H]1C(C[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
InChI
InChI=1S/C23H34O5/c1-21-6-3-14(24)10-18(21)19(25)11-17-16(21)4-7-22(2)15(5-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17+,18-,19?,21+,22+,23-/m0/s1
InChIKey
NAUPKGAOVHSNRY-CIKZRQIISA-N
Compound name
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,6,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.24063 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.247906 194.8
[M+Na]+ 413.229848 199.8
[M-H]- 389.233354 199.2
[M+NH4]+ 408.274453 215.2
[M+K]+ 429.203788 194.5
[M+H-H2O]+ 373.237890 190.4
[M+HCOO]- 435.238831 198.8
[M+CH3COO]- 449.254481 202.1
[M+Na-2H]- 411.215296 192.3
[M]+ 390.24008142 187.6
[M]- 390.24117858 187.6
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.