CID 171119628

Clavufuranolide b

Structural Information

Molecular Formula
C20H32O
SMILES
C/C/1=C\CCC(=C)CC[C@@]2(CC[C@H]3[C@H]2[C@@H](C1)OC3(C)C)C
InChI
InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,16-18H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,18-,20+/m0/s1
InChIKey
YCEYWRWRZHHNCF-ZOWFOJILSA-N
Compound name
(1S,7E,10R,13S,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 169.4
[M+Na]+ 311.23455 175.7
[M-H]- 287.23805 171.9
[M+NH4]+ 306.27915 191.5
[M+K]+ 327.20849 172.9
[M+H-H2O]+ 271.24259 168.8
[M+HCOO]- 333.24353 182.9
[M+CH3COO]- 347.25918 179.7
[M+Na-2H]- 309.22000 168.0
[M]+ 288.24478 164.5
[M]- 288.24588 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.