PubChemLite - Forskolin (C22H34O7)

Structural Information

Molecular Formula

SMILES

CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O

InChI

InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

InChIKey

OHCQJHSOBUTRHG-KGGHGJDLSA-N

Compound name

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate

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]+	411.23772	187.8
[M+Na]+	433.21966	194.1
[M+NH4]+	428.26426	198.7
[M+K]+	449.19360	183.1
[M-H]-	409.22316	187.1
[M+Na-2H]-	431.20511	191.4
[M]+	410.22989	188.9
[M]-	410.23099	188.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.23772

187.8

[M+Na]+

433.21966

194.1

[M+NH4]+

428.26426

198.7

[M+K]+

449.19360

183.1

[M-H]-

409.22316

187.1

[M+Na-2H]-

431.20511

191.4

[M]+

410.22989

188.9

[M]-

410.23099

188.9

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

Forskolin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe