CID 3557739

43188-86-9

Structural Information

Molecular Formula
C23H33NO7
SMILES
CC12CCC(=NOCC(=O)O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
InChI
InChI=1S/C23H33NO7/c1-21-7-5-14(24-31-12-19(28)29)9-13(21)3-4-15-16-6-8-23(30,18(27)11-25)22(16,2)10-17(26)20(15)21/h9,15-17,20,25-26,30H,3-8,10-12H2,1-2H3,(H,28,29)
InChIKey
WXAWNCDYPXVODT-UHFFFAOYSA-N
Compound name
2-[[11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

45
Patents

435.2257 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23298 199.8
[M+Na]+ 458.21492 203.0
[M+NH4]+ 453.25952 208.3
[M+K]+ 474.18886 196.6
[M-H]- 434.21842 197.8
[M+Na-2H]- 456.20037 199.2
[M]+ 435.22515 199.4
[M]- 435.22625 199.4
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

patents stripe