PubChemLite - Ganodermic acid jb (C30H46O4)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(\C)/C(=O)O)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)O

InChI

InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-25,31-32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+

InChIKey

VFCVARJMDQZNKD-VXLYETTFSA-N

Compound name

(E)-6-(3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic 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]+	471.34688	217.4
[M+Na]+	493.32882	221.5
[M-H]-	469.33232	217.2
[M+NH4]+	488.37342	236.4
[M+K]+	509.30276	215.3
[M+H-H2O]+	453.33686	213.6
[M+HCOO]-	515.33780	218.8
[M+CH3COO]-	529.35345	236.5
[M+Na-2H]-	491.31427	212.5
[M]+	470.33905	214.1
[M]-	470.34015	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.34688

217.4

[M+Na]+

493.32882

221.5

[M-H]-

469.33232

217.2

[M+NH4]+

488.37342

236.4

[M+K]+

509.30276

215.3

[M+H-H2O]+

453.33686

213.6

[M+HCOO]-

515.33780

218.8

[M+CH3COO]-

529.35345

236.5

[M+Na-2H]-

491.31427

212.5

[M]+

470.33905

214.1

[M]-

470.34015

214.1

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

Ganodermic acid jb

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe