CID 6284067

(3beta,4beta,5alpha,24z)-4-methylstigmasta-7,24(28)-dien-3-ol

Structural Information

Molecular Formula
C30H50O
SMILES
C/C=C(\CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)/C(C)C
InChI
InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+
InChIKey
LPZCCMIISIBREI-GZIVZEMBSA-N
Compound name
4,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1633
Patents

426.38617 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 214.9
[M+Na]+ 449.37539 221.6
[M+NH4]+ 444.41999 226.1
[M+K]+ 465.34933 211.7
[M-H]- 425.37889 217.0
[M+Na-2H]- 447.36084 214.0
[M]+ 426.38562 216.6
[M]- 426.38672 216.6
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.