CID 3074876

Dihydrotetrodecamycin

Structural Information

Molecular Formula
C18H24O6
SMILES
CC1C2C(C3(CCCCC3C1(C(=O)C4=C(O2)C(OC4=O)C)C)O)O
InChI
InChI=1S/C18H24O6/c1-8-12-15(20)18(22)7-5-4-6-10(18)17(8,3)14(19)11-13(24-12)9(2)23-16(11)21/h8-10,12,15,20,22H,4-7H2,1-3H3
InChIKey
UMVGVJGZMKQXJC-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-1,12,17-trimethyl-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadec-11(15)-ene-14,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.1573 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16458 174.3
[M+Na]+ 359.14652 181.0
[M+NH4]+ 354.19112 183.0
[M+K]+ 375.12046 177.1
[M-H]- 335.15002 175.6
[M+Na-2H]- 357.13197 172.6
[M]+ 336.15675 175.6
[M]- 336.15785 175.6
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.