CID 171535

Asebotoxin v, bisdeacyl-

Structural Information

Molecular Formula
C20H34O7
SMILES
CC1(C(CC2C1(C(C(C34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)O)C
InChI
InChI=1S/C20H34O7/c1-16(2)12(21)7-11-18(4,26)10-6-5-9-13(22)19(10,8-17(9,3)25)14(23)15(24)20(11,16)27/h9-15,21-27H,5-8H2,1-4H3
InChIKey
HRJZZHMMTOORSG-UHFFFAOYSA-N
Compound name
5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14,16-heptol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.23044 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23772 166.7
[M+Na]+ 409.21966 168.1
[M+NH4]+ 404.26426 176.9
[M+K]+ 425.19360 164.4
[M-H]- 385.22316 162.8
[M+Na-2H]- 407.20511 167.7
[M]+ 386.22989 165.9
[M]- 386.23099 165.9
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.