CID 10245246

Helioscopinolide a

Structural Information

Molecular Formula
C20H28O3
SMILES
CC1=C2C=C3CC[C@H]4[C@]([C@@H]3C[C@H]2OC1=O)(CC[C@H](C4(C)C)O)C
InChI
InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3/t14-,15-,16-,17-,20+/m1/s1
InChIKey
KZIADLALQLRZIQ-RXFYRGCNSA-N
Compound name
(3R,4aS,10aR,11aR,11bS)-3-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

316.20386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 175.2
[M+Na]+ 339.19308 183.2
[M-H]- 315.19658 180.1
[M+NH4]+ 334.23768 197.2
[M+K]+ 355.16702 178.8
[M+H-H2O]+ 299.20112 169.8
[M+HCOO]- 361.20206 185.3
[M+CH3COO]- 375.21771 185.6
[M+Na-2H]- 337.17853 176.5
[M]+ 316.20331 172.6
[M]- 316.20441 172.6
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.