CID 3035285

Intermediosid [german]

Structural Information

Molecular Formula
C30H42O10
SMILES
CC1C(C(CC(O1)OC2CCC3(C(C2)CC4C5C3C(C(=O)C6(C5(C(O4)CC6C7=CC(=O)CO7)O)C)O)C)OC)O
InChI
InChI=1S/C30H42O10/c1-13-25(32)20(36-4)11-22(38-13)39-16-5-6-28(2)14(7-16)8-19-23-24(28)26(33)27(34)29(3)17(18-9-15(31)12-37-18)10-21(40-19)30(23,29)35/h9,13-14,16-17,19-26,32-33,35H,5-8,10-12H2,1-4H3
InChIKey
BOMVRSLPSJQRBG-UHFFFAOYSA-N
Compound name
10,16-dihydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-8,12-dimethyl-13-(4-oxofuran-2-yl)-18-oxapentacyclo[13.2.1.03,8.09,17.012,16]octadecan-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.2778 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.28508 220.9
[M+Na]+ 585.26702 223.8
[M-H]- 561.27052 228.3
[M+NH4]+ 580.31162 234.2
[M+K]+ 601.24096 223.2
[M+H-H2O]+ 545.27506 219.2
[M+HCOO]- 607.27600 217.0
[M+CH3COO]- 621.29165 225.9
[M+Na-2H]- 583.25247 215.5
[M]+ 562.27725 221.5
[M]- 562.27835 221.5
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.