CID 484438

Yehueramtmedeo-cgbfiwbnsa-n

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(C)C1=C(C=CC2=C1[C@@H]([C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)O)O)O
InChI
InChI=1S/C20H30O3/c1-11(2)14-13(21)8-7-12-15(14)16(22)17(23)18-19(3,4)9-6-10-20(12,18)5/h7-8,11,16-18,21-23H,6,9-10H2,1-5H3/t16-,17-,18-,20+/m0/s1
InChIKey
YEHUERAMTMEDEO-CGBFIWBNSA-N
Compound name
(4bS,8aS,9R,10S)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-2,9,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.21948 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 177.2
[M+Na]+ 341.20870 184.4
[M-H]- 317.21220 178.4
[M+NH4]+ 336.25330 196.6
[M+K]+ 357.18264 179.8
[M+H-H2O]+ 301.21674 172.5
[M+HCOO]- 363.21768 186.5
[M+CH3COO]- 377.23333 207.4
[M+Na-2H]- 339.19415 177.9
[M]+ 318.21893 174.2
[M]- 318.22003 174.2
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.