CID 131752242

(e)-26,27-dinorergosta-4,22-dien-3-one

Structural Information

Molecular Formula
C26H40O
SMILES
CC(C)/C=C/C(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI
InChI=1S/C26H40O/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/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+
InChIKey
FFRFYWBYDZTBDQ-VOTSOKGWSA-N
Compound name
10,13-dimethyl-17-[(E)-5-methylhex-3-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.30792 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.31520 198.0
[M+Na]+ 391.29714 200.5
[M-H]- 367.30064 201.1
[M+NH4]+ 386.34174 218.8
[M+K]+ 407.27108 193.8
[M+H-H2O]+ 351.30518 191.1
[M+HCOO]- 413.30612 204.6
[M+CH3COO]- 427.32177 222.7
[M+Na-2H]- 389.28259 192.9
[M]+ 368.30737 190.8
[M]- 368.30847 190.8
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.