PubChemLite - Ganoderone c (C30H46O4)

Structural Information

Molecular Formula

SMILES

C[C@H](CCC1C(O1)(C)CO)[C@H]2CC[C@@]3([C@@]2(CCC4=C3C(=O)C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C

InChI

InChI=1S/C30H46O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31H,8-17H2,1-7H3/t18-,19-,22+,24?,27-,28-,29+,30?/m1/s1

InChIKey

DHGMYNLRIYMOGS-ZWETUDJHSA-N

Compound name

(5R,10S,13R,14R,17R)-17-[(2R)-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

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	209.6
[M+Na]+	493.32882	217.0
[M-H]-	469.33232	216.2
[M+NH4]+	488.37342	225.5
[M+K]+	509.30276	215.0
[M+H-H2O]+	453.33686	206.0
[M+HCOO]-	515.33780	211.7
[M+CH3COO]-	529.35345	240.4
[M+Na-2H]-	491.31427	208.2
[M]+	470.33905	213.1
[M]-	470.34015	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.34688

209.6

[M+Na]+

493.32882

217.0

[M-H]-

469.33232

216.2

[M+NH4]+

488.37342

225.5

[M+K]+

509.30276

215.0

[M+H-H2O]+

453.33686

206.0

[M+HCOO]-

515.33780

211.7

[M+CH3COO]-

529.35345

240.4

[M+Na-2H]-

491.31427

208.2

[M]+

470.33905

213.1

[M]-

470.34015

213.1

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

Ganoderone c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe