CID 133542

24-ketolanosterol

Structural Information

Molecular Formula
C30H50O2
SMILES
C[C@H](CCC(=O)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H50O2/c1-19(2)24(31)11-9-20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h19-21,25-26,32H,9-18H2,1-8H3/t20-,21-,25?,26+,28-,29-,30+/m1/s1
InChIKey
AYMWZBOCZLGLTB-NILJVUHNSA-N
Compound name
(6R)-6-[(3S,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-methylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.38107 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 213.6
[M+Na]+ 465.37029 219.6
[M+NH4]+ 460.41489 226.8
[M+K]+ 481.34423 207.5
[M-H]- 441.37379 214.9
[M+Na-2H]- 463.35574 215.5
[M]+ 442.38052 215.3
[M]- 442.38162 215.3
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.