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]+ 369.227156 179.3
[M+Na]+ 391.209098 188.0
[M-H]- 367.212604 179.7
[M+NH4]+ 386.253703 200.4
[M+K]+ 407.183038 185.6
[M+H-H2O]+ 351.217140 177.3
[M+HCOO]- 413.218081 183.5
[M+CH3COO]- 427.233731 212.8
[M+Na-2H]- 389.194546 184.2
[M]+ 368.21933142 177.7
[M]- 368.22042858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.