CID 134815158

(4as,4br,7s,8as,10r)-1,1,4a,7-tetramethyl-7-vinyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@@]1(CC[C@@H]2[C@]3(CCCC(C3[C@@H](C[C@]2(C1)O)O)(C)C)C)C=C
InChI
InChI=1S/C20H34O2/c1-6-18(4)11-8-15-19(5)10-7-9-17(2,3)16(19)14(21)12-20(15,22)13-18/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15-,16?,18+,19-,20-/m1/s1
InChIKey
DTBXEYNZFLTFJY-IPGAMOKNSA-N
Compound name
(4aS,4bR,7S,8aS,10R)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.2559 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 175.4
[M+Na]+ 329.24512 181.3
[M-H]- 305.24862 176.8
[M+NH4]+ 324.28972 199.2
[M+K]+ 345.21906 176.2
[M+H-H2O]+ 289.25316 170.6
[M+HCOO]- 351.25410 182.9
[M+CH3COO]- 365.26975 204.3
[M+Na-2H]- 327.23057 178.1
[M]+ 306.25535 168.5
[M]- 306.25645 168.5
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.