PubChemLite - Corchorusoside c (C35H54O13)

Structural Information

Molecular Formula

SMILES

CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O

InChI

InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3

InChIKey

ZOSJMTBTUZXPSR-UHFFFAOYSA-N

Compound name

3-[5,14-dihydroxy-3-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	683.36373	257.2
[M+Na]+	705.34567	258.7
[M-H]-	681.34917	252.9
[M+NH4]+	700.39027	257.4
[M+K]+	721.31961	261.1
[M+H-H2O]+	665.35371	248.4
[M+HCOO]-	727.35465	258.9
[M+CH3COO]-	741.37030	262.4
[M+Na-2H]-	703.33112	273.2
[M]+	682.35590	256.7
[M]-	682.35700	256.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.36373

257.2

[M+Na]+

705.34567

258.7

[M-H]-

681.34917

252.9

[M+NH4]+

700.39027

257.4

[M+K]+

721.31961

261.1

[M+H-H2O]+

665.35371

248.4

[M+HCOO]-

727.35465

258.9

[M+CH3COO]-

741.37030

262.4

[M+Na-2H]-

703.33112

273.2

[M]+

682.35590

256.7

[M]-

682.35700

256.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Corchorusoside c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe