PubChemLite - Virescenoside a (C26H42O8)

Structural Information

Molecular Formula

SMILES

CC1(CCC2C(=CCC3C2(CC(C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)O)C)C1)C=C

InChI

InChI=1S/C26H42O8/c1-5-24(2)9-8-15-14(10-24)6-7-18-25(15,3)11-16(28)22(32)26(18,4)13-33-23-21(31)20(30)19(29)17(12-27)34-23/h5-6,15-23,27-32H,1,7-13H2,2-4H3

InChIKey

FCXXKIPOXPDQAP-UHFFFAOYSA-N

Compound name

2-[(7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	483.29524	216.7
[M+Na]+	505.27718	219.7
[M-H]-	481.28068	215.7
[M+NH4]+	500.32178	227.2
[M+K]+	521.25112	217.1
[M+H-H2O]+	465.28522	211.3
[M+HCOO]-	527.28616	214.0
[M+CH3COO]-	541.30181	232.5
[M+Na-2H]-	503.26263	214.2
[M]+	482.28741	211.4
[M]-	482.28851	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.29524

216.7

[M+Na]+

505.27718

219.7

[M-H]-

481.28068

215.7

[M+NH4]+

500.32178

227.2

[M+K]+

521.25112

217.1

[M+H-H2O]+

465.28522

211.3

[M+HCOO]-

527.28616

214.0

[M+CH3COO]-

541.30181

232.5

[M+Na-2H]-

503.26263

214.2

[M]+

482.28741

211.4

[M]-

482.28851

211.4

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

Virescenoside a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe