PubChemLite - Momoridcin (C31H50O3)

Structural Information

Molecular Formula

SMILES

CC1CCC2(CCC3(C4(CCC5C(C(=O)CCC5(C4C=CC3(C2C1C)OC)C)(C)C)C)C)CO

InChI

InChI=1S/C31H50O3/c1-20-9-15-30(19-32)18-17-29(7)28(6)14-10-22-26(3,4)24(33)12-13-27(22,5)23(28)11-16-31(29,34-8)25(30)21(20)2/h11,16,20-23,25,32H,9-10,12-15,17-19H2,1-8H3

InChIKey

SUQFTOPYIBMCAU-UHFFFAOYSA-N

Compound name

8a-(hydroxymethyl)-6a-methoxy-4,4,6a,6b,11,12,14b-heptamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picen-3-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]+	471.38328	213.5
[M+Na]+	493.36522	219.5
[M-H]-	469.36872	215.9
[M+NH4]+	488.40982	236.2
[M+K]+	509.33916	213.5
[M+H-H2O]+	453.37326	202.8
[M+HCOO]-	515.37420	213.0
[M+CH3COO]-	529.38985	218.9
[M+Na-2H]-	491.35067	213.7
[M]+	470.37545	208.5
[M]-	470.37655	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.38328

213.5

[M+Na]+

493.36522

219.5

[M-H]-

469.36872

215.9

[M+NH4]+

488.40982

236.2

[M+K]+

509.33916

213.5

[M+H-H2O]+

453.37326

202.8

[M+HCOO]-

515.37420

213.0

[M+CH3COO]-

529.38985

218.9

[M+Na-2H]-

491.35067

213.7

[M]+

470.37545

208.5

[M]-

470.37655

208.5

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

Momoridcin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe