CID 73242220

2,3-saoa

Structural Information

Molecular Formula
C19H30O4
SMILES
CC(=O)[C@]1([C@@H](CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3O)C)CC(=O)O)C
InChI
InChI=1S/C19H30O4/c1-11(20)19(3)12(10-17(22)23)4-5-13-14-6-7-16(21)18(14,2)9-8-15(13)19/h12-16,21H,4-10H2,1-3H3,(H,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
UVMGMKYQPLCEGR-LUJOEAJASA-N
Compound name
2-[(3S,3aS,5aS,6S,7S,9aS,9bS)-6-acetyl-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.21442 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 178.9
[M+Na]+ 345.20364 183.1
[M-H]- 321.20714 179.9
[M+NH4]+ 340.24824 199.5
[M+K]+ 361.17758 179.1
[M+H-H2O]+ 305.21168 175.2
[M+HCOO]- 367.21262 187.4
[M+CH3COO]- 381.22827 206.3
[M+Na-2H]- 343.18909 176.6
[M]+ 322.21387 173.7
[M]- 322.21497 173.7
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.