PubChemLite - 2a-hydroxymaprounic acid (C30H48O4)

Structural Information

Molecular Formula

SMILES

CC1(CCC2(CC=C3C4(CCC5C(C(C(CC5(C4CCC3(C2C1)C)C)O)O)(C)C)C)C(=O)O)C

InChI

InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)

InChIKey

JMJVYEINATYJHM-UHFFFAOYSA-N

Compound name

10,11-dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

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]+	473.36254	213.5
[M+Na]+	495.34448	219.8
[M+NH4]+	490.38908	228.6
[M+K]+	511.31842	203.5
[M-H]-	471.34798	214.8
[M+Na-2H]-	493.32993	217.2
[M]+	472.35471	215.5
[M]-	472.35581	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.36254

213.5

[M+Na]+

495.34448

219.8

[M+NH4]+

490.38908

228.6

[M+K]+

511.31842

203.5

[M-H]-

471.34798

214.8

[M+Na-2H]-

493.32993

217.2

[M]+

472.35471

215.5

[M]-

472.35581

215.5

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

2a-hydroxymaprounic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe