CID 131751892

(17alpha,23s)-17,23-epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione

Structural Information

Molecular Formula
C29H40O5
SMILES
CCC(=O)C1CC(C2(O1)CC(=O)C3(C2(CCC4=C3CCC5C4(C=CC(=O)C5(C)CO)C)C)C)C
InChI
InChI=1S/C29H40O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h11-12,17,21-22,30H,7-10,13-16H2,1-6H3
InChIKey
BQWYLPVWSPZWPN-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[5,6,7,11,12,16-hexahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.28757 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.29485 208.3
[M+Na]+ 491.27679 214.8
[M+NH4]+ 486.32139 221.5
[M+K]+ 507.25073 204.1
[M-H]- 467.28029 210.5
[M+Na-2H]- 489.26224 211.1
[M]+ 468.28702 210.4
[M]- 468.28812 210.4
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.