PubChemLite - 17,23-epoxy-29-hydroxy-27-norlanost-8-ene-3,15,24-trione (C29H42O5)

Structural Information

Molecular Formula

SMILES

CCC(=O)C1CC(C2(O1)CC(=O)C3(C2(CCC4=C3CCC5C4(CCC(=O)C5(C)CO)C)C)C)C

InChI

InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-22,30H,7-16H2,1-6H3

InChIKey

DVXXYXKKUSGEIB-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[1,2,5,6,7,11,12,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3,15-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]+	471.31050	209.8
[M+Na]+	493.29244	215.3
[M+NH4]+	488.33704	223.0
[M+K]+	509.26638	204.9
[M-H]-	469.29594	211.8
[M+Na-2H]-	491.27789	211.8
[M]+	470.30267	211.6
[M]-	470.30377	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.31050

209.8

[M+Na]+

493.29244

215.3

[M+NH4]+

488.33704

223.0

[M+K]+

509.26638

204.9

[M-H]-

469.29594

211.8

[M+Na-2H]-

491.27789

211.8

[M]+

470.30267

211.6

[M]-

470.30377

211.6

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

17,23-epoxy-29-hydroxy-27-norlanost-8-ene-3,15,24-trione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe