CID 156587284

26-oxolanosterol

Structural Information

Molecular Formula
C30H48O2
SMILES
C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey
YVJWSYCNRKXINY-AZIDVCJLSA-N
Compound name
(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.36542 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.37270 213.2
[M+Na]+ 463.35464 216.9
[M-H]- 439.35814 215.0
[M+NH4]+ 458.39924 234.6
[M+K]+ 479.32858 209.7
[M+H-H2O]+ 423.36268 207.2
[M+HCOO]- 485.36362 216.9
[M+CH3COO]- 499.37927 234.6
[M+Na-2H]- 461.34009 208.4
[M]+ 440.36487 208.6
[M]- 440.36597 208.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.