CID 90658914

7beta-hydroxy-ent-sandaracopimaradiene

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]1(CC[C@@H]2C(=C1)[C@H](C[C@H]3[C@]2(CCCC3(C)C)C)O)C=C
InChI
InChI=1S/C20H32O/c1-6-19(4)11-8-15-14(13-19)16(21)12-17-18(2,3)9-7-10-20(15,17)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16+,17-,19-,20+/m1/s1
InChIKey
BNRZBCUNLMPNJG-DSJDWBEOSA-N
Compound name
(4aR,4bS,7S,9S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 173.4
[M+Na]+ 311.23455 184.2
[M+NH4]+ 306.27915 187.2
[M+K]+ 327.20849 170.4
[M-H]- 287.23805 176.6
[M+Na-2H]- 309.22000 179.3
[M]+ 288.24478 176.4
[M]- 288.24588 176.4
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.