CID 479954

(2e)-1-[(1r)((17s,7r,9r)-17-acetyloxy-5-methylene-8-oxaspiro[oxirane-2,7'-tricyclo[8.4.0.0<4,6>]tetradecane]-14-en-14-yl)acetyloxymethyl](1s)-3-methylbut-2-enyl acetate

Structural Information

Molecular Formula
C27H36O8
SMILES
CC(=C[C@@H]([C@@H](C1=CC[C@@H]([C@@H]2[C@@H]1CC[C@]3(CO3)C4[C@H](O4)CC2=C)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C27H36O8/c1-14(2)11-22(33-17(5)29)25(34-18(6)30)20-7-8-21(32-16(4)28)24-15(3)12-23-26(35-23)27(13-31-27)10-9-19(20)24/h7,11,19,21-26H,3,8-10,12-13H2,1-2,4-6H3/t19-,21+,22+,23-,24+,25-,26?,27+/m1/s1
InChIKey
SMJOJBWDOQQKEL-HHOVCGLOSA-N
Compound name
[(1R,4R,7S,10S,14S)-11-[(1R,2S)-1,2-diacetyloxy-4-methylpent-3-enyl]-2-methylidenespiro[5-oxatricyclo[8.4.0.04,6]tetradec-11-ene-7,2'-oxirane]-14-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.24103 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24831 203.5
[M+Na]+ 511.23025 203.0
[M-H]- 487.23375 203.0
[M+NH4]+ 506.27485 203.2
[M+K]+ 527.20419 205.5
[M+H-H2O]+ 471.23829 197.3
[M+HCOO]- 533.23923 203.6
[M+CH3COO]- 547.25488 204.0
[M+Na-2H]- 509.21570 204.6
[M]+ 488.24048 203.3
[M]- 488.24158 203.3
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.