CID 131751086

6,7-dimethoxy-7-epirosmanol

Structural Information

Molecular Formula
C22H30O6
SMILES
CC(C)C1=C(C(=C2C(=C1)C(C3(C4C2(CCCC4(C)C)C(=O)O3)OC)OC)O)O
InChI
InChI=1S/C22H30O6/c1-11(2)12-10-13-14(16(24)15(12)23)21-9-7-8-20(3,4)18(21)22(27-6,17(13)26-5)28-19(21)25/h10-11,17-18,23-24H,7-9H2,1-6H3
InChIKey
MCHRWEBHSKWYBW-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-8,9-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.20422 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21150 188.1
[M+Na]+ 413.19344 196.6
[M-H]- 389.19694 192.6
[M+NH4]+ 408.23804 208.1
[M+K]+ 429.16738 194.5
[M+H-H2O]+ 373.20148 183.6
[M+HCOO]- 435.20242 197.5
[M+CH3COO]- 449.21807 222.0
[M+Na-2H]- 411.17889 189.9
[M]+ 390.20367 192.2
[M]- 390.20477 192.2
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.