CID 215252

Podophyllotoxin o-furfurylidene-beta-d-glucopyranoside

Structural Information

Molecular Formula
C33H34O14
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CO8)O)O
InChI
InChI=1S/C33H34O14/c1-37-21-7-14(8-22(38-2)29(21)39-3)24-15-9-19-20(44-13-43-19)10-16(15)28(17-11-41-31(36)25(17)24)46-33-27(35)26(34)30-23(45-33)12-42-32(47-30)18-5-4-6-40-18/h4-10,17,23-28,30,32-35H,11-13H2,1-3H3/t17-,23+,24+,25-,26+,27+,28+,30+,32+,33-/m0/s1
InChIKey
AQRJBWFVLCAKFF-LOUJXSFCSA-N
Compound name
(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

654.1949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.20218 257.0
[M+Na]+ 677.18412 258.0
[M+NH4]+ 672.22872 256.3
[M+K]+ 693.15806 265.2
[M-H]- 653.18762 251.0
[M+Na-2H]- 675.16957 265.5
[M]+ 654.19435 254.7
[M]- 654.19545 254.7
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.