PubChemLite - 7-desacetylforskolin (C20H32O6)

Structural Information

Molecular Formula

SMILES

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)O)C)O)C

InChI

InChI=1S/C20H32O6/c1-7-17(4)10-12(22)20(25)18(5)11(21)8-9-16(2,3)14(18)13(23)15(24)19(20,6)26-17/h7,11,13-15,21,23-25H,1,8-10H2,2-6H3

InChIKey

WPDITXOBNLYZHH-UHFFFAOYSA-N

Compound name

3-ethenyl-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one

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]+	369.22716	179.3
[M+Na]+	391.20910	188.0
[M-H]-	367.21260	179.7
[M+NH4]+	386.25370	200.4
[M+K]+	407.18304	185.6
[M+H-H2O]+	351.21714	177.3
[M+HCOO]-	413.21808	183.5
[M+CH3COO]-	427.23373	212.8
[M+Na-2H]-	389.19455	184.2
[M]+	368.21933	177.7
[M]-	368.22043	177.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.22716

179.3

[M+Na]+

391.20910

188.0

[M-H]-

367.21260

179.7

[M+NH4]+

386.25370

200.4

[M+K]+

407.18304

185.6

[M+H-H2O]+

351.21714

177.3

[M+HCOO]-

413.21808

183.5

[M+CH3COO]-

427.23373

212.8

[M+Na-2H]-

389.19455

184.2

[M]+

368.21933

177.7

[M]-

368.22043

177.7

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

7-desacetylforskolin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe