CID 90657451

Oryzalexin f

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)CO)O)C)C=C
InChI
InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18-,19+,20?/m1/s1
InChIKey
OJSKJQFODPKTBT-QNSYIDHGSA-N
Compound name
(2R,4aS,4bR,7S,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 176.3
[M+Na]+ 327.22945 186.1
[M+NH4]+ 322.27405 189.2
[M+K]+ 343.20339 173.1
[M-H]- 303.23295 178.5
[M+Na-2H]- 325.21490 181.4
[M]+ 304.23968 178.7
[M]- 304.24078 178.7
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.