CID 78178167

(3s)-1,2,3,6,7,7a,10,14,14abeta,14b-decahydro-6alpha-hydroxy-3alpha,13-dimethoxy-5,5,7abeta,9,14balpha-pentamethyl-12h-3beta,5abeta-epoxy-5h-furo[3,4-i]oxepino[4,3-a]xanthen-12-one

Structural Information

Molecular Formula
C26H34O8
SMILES
CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C56C(OC(O5)(CCC6(C4C3)C)OC)(C)C)O)C)OC
InChI
InChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3
InChIKey
ZVFMDVFPBVFGPG-UHFFFAOYSA-N
Compound name
2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.22537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23265 202.7
[M+Na]+ 497.21459 210.9
[M+NH4]+ 492.25919 216.0
[M+K]+ 513.18853 202.2
[M-H]- 473.21809 207.7
[M+Na-2H]- 495.20004 202.5
[M]+ 474.22482 206.1
[M]- 474.22592 206.1
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.