CID 157009885

24-methyl-lanost-9(11)-en-3-beta-ol

Structural Information

Molecular Formula
C31H52O
SMILES
C[C@H](CCC(=C(C)C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,22-23,25-27,32H,10-14,16-19H2,1-9H3/t22-,23-,25?,26+,27+,29-,30-,31+/m1/s1
InChIKey
RRYHVRAFXQQACG-OFWLWUCKSA-N
Compound name
(3S,5R,10S,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.40182 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.40910 214.7
[M+Na]+ 463.39104 217.5
[M-H]- 439.39454 216.3
[M+NH4]+ 458.43564 236.1
[M+K]+ 479.36498 210.6
[M+H-H2O]+ 423.39908 209.0
[M+HCOO]- 485.40002 216.7
[M+CH3COO]- 499.41567 237.0
[M+Na-2H]- 461.37649 207.9
[M]+ 440.40127 209.0
[M]- 440.40237 209.0
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.