CID 127632

7-desacetylforskolin

Structural Information

Molecular Formula
C20H32O6
SMILES
C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)O)O)(C)C)O)C)O)C=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/t11-,13-,14-,15-,17+,18-,19+,20-/m1/s1
InChIKey
WPDITXOBNLYZHH-BKHSYUBZSA-N
Compound name
(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.21988 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.