CID 3050256

Sodium carriomycin

Structural Information

Molecular Formula
C47H80O15
SMILES
CC1CC(C(OC1C2CCC(O2)C3CCC(O3)C4(C(C(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)O)O)C)OC7CCC(C(O7)C)OC)C)OC)C)C)OC)C)(C)O)C
InChI
InChI=1S/C47H80O15/c1-23-20-24(2)45(10,50)61-40(23)35-15-14-33(56-35)34-16-18-38(57-34)44(9)42(54-13)28(6)47(62-44)26(4)37(53-12)22-31(59-47)21-36-25(3)41(27(5)46(51,60-36)29(7)43(48)49)58-39-19-17-32(52-11)30(8)55-39/h23-42,50-51H,14-22H2,1-13H3,(H,48,49)
InChIKey
XVEWEQLVOJZMCV-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

884.54974 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 885.55702 285.5
[M+Na]+ 907.53896 282.0
[M+NH4]+ 902.58356 283.0
[M+K]+ 923.51290 290.5
[M-H]- 883.54246 277.0
[M+Na-2H]- 905.52441 296.3
[M]+ 884.54919 281.8
[M]- 884.55029 281.8
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

patents stripe