CID 134814701

15,16-epoxydolabrene

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@@]1(CC[C@@]2([C@@H](C1)CC[C@]3([C@H]2CCCC3=C)C)C)C4CO4
InChI
InChI=1S/C20H32O/c1-14-6-5-7-16-19(14,3)9-8-15-12-18(2,17-13-21-17)10-11-20(15,16)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17?,18+,19-,20-/m1/s1
InChIKey
MDUIQYUVECBDRX-LBNFNQNDSA-N
Compound name
2-[(2S,4aR,4bS,8aS,10aR)-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 173.5
[M+Na]+ 311.23455 186.3
[M+NH4]+ 306.27915 188.4
[M+K]+ 327.20849 174.3
[M-H]- 287.23805 187.0
[M+Na-2H]- 309.22000 182.6
[M]+ 288.24478 181.0
[M]- 288.24588 181.0
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.