PubChemLite - Quasiprotopanaxatriol (C30H50O3)

Structural Information

Molecular Formula

SMILES

CC(=CC/C=C(\C)/C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)C

InChI

InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+

InChIKey

JKPOYAJYRYOGBN-YBFXNURJSA-N

Compound name

4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-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]+	459.38328	215.2
[M+Na]+	481.36522	219.9
[M+NH4]+	476.40982	226.9
[M+K]+	497.33916	208.6
[M-H]-	457.36872	214.9
[M+Na-2H]-	479.35067	214.9
[M]+	458.37545	216.0
[M]-	458.37655	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.38328

215.2

[M+Na]+

481.36522

219.9

[M+NH4]+

476.40982

226.9

[M+K]+

497.33916

208.6

[M-H]-

457.36872

214.9

[M+Na-2H]-

479.35067

214.9

[M]+

458.37545

216.0

[M]-

458.37655

216.0

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

Quasiprotopanaxatriol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe