CID 78384665

(3beta,6beta)-furanoeremophilane-3,6-diol 6-acetate

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1C(CCC2C1(C(C3=C(C2)OC=C3C)OC(=O)C)C)O
InChI
InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3
InChIKey
CXZIQFLLAXJLDS-UHFFFAOYSA-N
Compound name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 167.7
[M+Na]+ 315.15667 175.3
[M-H]- 291.16017 172.2
[M+NH4]+ 310.20127 187.8
[M+K]+ 331.13061 173.2
[M+H-H2O]+ 275.16471 163.2
[M+HCOO]- 337.16565 181.4
[M+CH3COO]- 351.18130 202.7
[M+Na-2H]- 313.14212 168.7
[M]+ 292.16690 168.4
[M]- 292.16800 168.4
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.