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 260.7
[M+Na]+ 637.22552 261.8
[M-H]- 613.22902 254.1
[M+NH4]+ 632.27012 259.7
[M+K]+ 653.19946 253.8
[M+H-H2O]+ 597.23356 248.6
[M+HCOO]- 659.23450 261.2
[M+CH3COO]- 673.25015 264.5
[M+Na-2H]- 635.21097 271.9
[M]+ 614.23575 263.8
[M]- 614.23685 263.8
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.