PubChemLite - Corchorusoside b (C35H54O13)

Structural Information

Molecular Formula

SMILES

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7C(C(C(C(O7)CO)O)O)O

InChI

InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3

InChIKey

HNHIWJNROSKAOI-UHFFFAOYSA-N

Compound name

3-[11,14-dihydroxy-3-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[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	253.5
[M+Na]+	705.34567	251.6
[M+NH4]+	700.39027	251.6
[M+K]+	721.31961	258.2
[M-H]-	681.34917	245.1
[M+Na-2H]-	703.33112	262.9
[M]+	682.35590	250.0
[M]-	682.35700	250.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.36373

253.5

[M+Na]+

705.34567

251.6

[M+NH4]+

700.39027

251.6

[M+K]+

721.31961

258.2

[M-H]-

681.34917

245.1

[M+Na-2H]-

703.33112

262.9

[M]+

682.35590

250.0

[M]-

682.35700

250.0

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

Corchorusoside b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe