CID 131751874

Asterosterol

Structural Information

Molecular Formula
C26H42O
SMILES
CC(C)/C=C\C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C
InChI
InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,9,17-20,22-24,27H,8,10-16H2,1-5H3/b7-6-
InChIKey
PISAKMAGVQHRRZ-SREVYHEPSA-N
Compound name
10,13-dimethyl-17-[(Z)-5-methylhex-3-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
2
Annotation Hits

0
References

0
Patents

370.32358 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.33086 199.8
[M+Na]+ 393.31280 201.7
[M-H]- 369.31630 201.5
[M+NH4]+ 388.35740 220.0
[M+K]+ 409.28674 194.8
[M+H-H2O]+ 353.32084 193.3
[M+HCOO]- 415.32178 204.7
[M+CH3COO]- 429.33743 221.1
[M+Na-2H]- 391.29825 194.3
[M]+ 370.32303 191.5
[M]- 370.32413 191.5
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

patents stripe