CID 120725

Sarveroside

Structural Information

Molecular Formula
C30H42O10
SMILES
CC1C(C(CC(O1)OC2CCC3(C(C2)CC4C5C3C(C(=O)C6(C5(C(O4)CC6C7=CC(=O)OC7)O)C)O)C)OC)O
InChI
InChI=1S/C30H42O10/c1-13-25(32)19(36-4)11-22(38-13)39-16-5-6-28(2)15(8-16)9-18-23-24(28)26(33)27(34)29(3)17(14-7-21(31)37-12-14)10-20(40-18)30(23,29)35/h7,13,15-20,22-26,32-33,35H,5-6,8-12H2,1-4H3
InChIKey
XYPIGUUTGMMFPH-UHFFFAOYSA-N
Compound name
10,16-dihydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-8,12-dimethyl-13-(5-oxo-2H-furan-3-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

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.28508 221.8
[M+Na]+ 585.26702 225.3
[M+NH4]+ 580.31162 230.5
[M+K]+ 601.24096 224.0
[M-H]- 561.27052 225.7
[M+Na-2H]- 583.25247 216.3
[M]+ 562.27725 223.3
[M]- 562.27835 223.3
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.