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]+ 307.263176 175.4
[M+Na]+ 329.245118 181.3
[M-H]- 305.248624 176.8
[M+NH4]+ 324.289723 199.2
[M+K]+ 345.219058 176.2
[M+H-H2O]+ 289.253160 170.6
[M+HCOO]- 351.254101 182.9
[M+CH3COO]- 365.269751 204.3
[M+Na-2H]- 327.230566 178.1
[M]+ 306.25535142 168.5
[M]- 306.25644858 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.