CID 122197544

Chembl3707311

Structural Information

Molecular Formula
C23H30O3
SMILES
CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)C)O
InChI
InChI=1S/C23H30O3/c1-5-20(25)23(26)14(2)12-19-17-7-6-15-13-16(24)8-10-21(15,3)18(17)9-11-22(19,23)4/h8-10,13-14,17,19,26H,5-7,11-12H2,1-4H3/t14-,17-,19+,21+,22+,23+/m1/s1
InChIKey
AJAMXPWEAPICIM-XCAPYKEYSA-N
Compound name
(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-17-propanoyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.21948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22676 186.8
[M+Na]+ 377.20870 196.7
[M+NH4]+ 372.25330 199.5
[M+K]+ 393.18264 185.7
[M-H]- 353.21220 188.7
[M+Na-2H]- 375.19415 190.8
[M]+ 354.21893 189.1
[M]- 354.22003 189.1
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.