CID 6438852

Luminamicin

Structural Information

Molecular Formula
C32H38O12
SMILES
C[C@H]1[C@H]2C[C@@H]3C=C[C@@H]4CC(C(=O)O[C@H]5C(COC(=O)CCC6=C(/C=C/OCC5O)C(=O)OC6=O)/C=C(/[C@]4([C@@H]3[C@@H]1O)O2)\C)OC
InChI
InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3/b9-8+,15-10+/t16-,17-,18?,19+,22?,23+,24?,26-,27+,28-,32-/m0/s1
InChIKey
UGSGHHXIPUAOBJ-FUQUDWCDSA-N
Compound name
(1S,2E,15E,20S,25S,28R,30R,31R,32R,33S)-19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

614.2363 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.24358 244.4
[M+Na]+ 637.22552 244.7
[M+NH4]+ 632.27012 243.5
[M+K]+ 653.19946 252.6
[M-H]- 613.22902 238.1
[M+Na-2H]- 635.21097 255.1
[M]+ 614.23575 241.8
[M]- 614.23685 241.8
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.