CID 6441076

Dinosterol

Structural Information

Molecular Formula
C30H52O
SMILES
C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC[C@@H]1O)C)C)[C@H](C)/C=C(\C)/[C@H](C)C(C)C
InChI
InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-28,31H,9-16H2,1-8H3/b19-17+/t20-,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey
LPFIPZJIWTZLEY-DAABMGJCSA-N
Compound name
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

361
Patents

428.40182 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 216.0
[M+Na]+ 451.39104 215.4
[M-H]- 427.39454 216.6
[M+NH4]+ 446.43564 233.7
[M+K]+ 467.36498 209.1
[M+H-H2O]+ 411.39908 210.4
[M+HCOO]- 473.40002 215.7
[M+CH3COO]- 487.41567 236.2
[M+Na-2H]- 449.37649 205.0
[M]+ 428.40127 206.7
[M]- 428.40237 206.7
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.