CID 200589

Tricarvocrotide

Structural Information

Molecular Formula
C33H36O6
SMILES
CC1=C2C(=C(C=C1)C(C)C)C(=O)OC3=C(C=CC(=C3C(=O)OC4=C(C=CC(=C4C(=O)O2)C(C)C)C)C(C)C)C
InChI
InChI=1S/C33H36O6/c1-16(2)22-13-10-19(7)28-25(22)31(34)38-29-20(8)11-14-23(17(3)4)26(29)33(36)39-30-21(9)12-15-24(18(5)6)27(30)32(35)37-28/h10-18H,1-9H3
InChIKey
KXGZHYZDRUARHJ-UHFFFAOYSA-N
Compound name
8,16,24-trimethyl-5,13,21-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.25116 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.25844 226.4
[M+Na]+ 551.24038 241.6
[M+NH4]+ 546.28498 230.7
[M+K]+ 567.21432 235.5
[M-H]- 527.24388 233.7
[M+Na-2H]- 549.22583 226.2
[M]+ 528.25061 230.6
[M]- 528.25171 230.6
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.