CID 73816066

(3beta,17alpha,23s)-17,23-epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one

Structural Information

Molecular Formula
C29H46O5
SMILES
CCC(=O)C1CC(C2(O1)CCC3(C2(CCC4=C3CCC5C4(CCC(C5(CO)CO)O)C)C)C)C
InChI
InChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3
InChIKey
PGCCXLDWXXFVMP-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.33453 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.34181 212.0
[M+Na]+ 497.32375 216.1
[M+NH4]+ 492.36835 225.0
[M+K]+ 513.29769 206.1
[M-H]- 473.32725 213.4
[M+Na-2H]- 495.30920 213.2
[M]+ 474.33398 213.4
[M]- 474.33508 213.4
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.