CID 131752705

Oryzalexin s

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=CC2CCC3C(CC(CC3(C24CCC1C4)C)O)(C)CO
InChI
InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3
InChIKey
OXKYBEZXRLIPKC-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-en-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

11
Patents

304.24023 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 177.5
[M+Na]+ 327.229448 183.2
[M-H]- 303.232954 178.9
[M+NH4]+ 322.274053 202.3
[M+K]+ 343.203388 176.9
[M+H-H2O]+ 287.237490 171.8
[M+HCOO]- 349.238431 185.2
[M+CH3COO]- 363.254081 186.2
[M+Na-2H]- 325.214896 179.0
[M]+ 304.23968142 171.7
[M]- 304.24077858 171.7
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.