CID 131751733

(24e)-3alpha-acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid

Structural Information

Molecular Formula
C32H46O6
SMILES
CC(CC(=O)/C=C(/C)\C(=O)O)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O
InChI
InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-26(35)32(8)23-9-10-25-29(4,5)27(38-20(3)33)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-
InChIKey
SUTMBPWDBAUJCG-MNDPQUGUSA-N
Compound name
(Z)-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

526.32947 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.33675 223.4
[M+Na]+ 549.31869 227.2
[M+NH4]+ 544.36329 232.5
[M+K]+ 565.29263 218.6
[M-H]- 525.32219 221.2
[M+Na-2H]- 547.30414 223.4
[M]+ 526.32892 223.4
[M]- 526.33002 223.4
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

No patent data available for this compound.