PubChemLite - Sebiferic acid (C30H48O2)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C)C

InChI

InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)

InChIKey

STWHPCOPDBFRNW-UHFFFAOYSA-N

Compound name

3-[4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic 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]+	441.37270	213.6
[M+Na]+	463.35464	218.8
[M+NH4]+	458.39924	226.1
[M+K]+	479.32858	206.7
[M-H]-	439.35814	214.2
[M+Na-2H]-	461.34009	214.5
[M]+	440.36487	214.8
[M]-	440.36597	214.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.37270

213.6

[M+Na]+

463.35464

218.8

[M+NH4]+

458.39924

226.1

[M+K]+

479.32858

206.7

[M-H]-

439.35814

214.2

[M+Na-2H]-

461.34009

214.5

[M]+

440.36487

214.8

[M]-

440.36597

214.8

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

Sebiferic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe