CID 86289488

Ent-sandaracopimaradien-3beta-ol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)C=C
InChI
InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1
InChIKey
ATQOOBSXQVRQPY-GNVJSZRZSA-N
Compound name
(2R,4aS,4bR,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 171.2
[M+Na]+ 311.23455 177.3
[M-H]- 287.23805 174.0
[M+NH4]+ 306.27915 194.6
[M+K]+ 327.20849 172.0
[M+H-H2O]+ 271.24259 165.4
[M+HCOO]- 333.24353 181.6
[M+CH3COO]- 347.25918 204.1
[M+Na-2H]- 309.22000 173.7
[M]+ 288.24478 165.2
[M]- 288.24588 165.2
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.