CID 46173116

16alpha, 17-epoxy gibberellin a12

Structural Information

Molecular Formula
C20H28O5
SMILES
C[C@@]12CCC[C@@](C1C([C@]34C2CC[C@H](C3)[C@]5(C4)CO5)C(=O)O)(C)C(=O)O
InChI
InChI=1S/C20H28O5/c1-17-6-3-7-18(2,16(23)24)14(17)13(15(21)22)19-8-11(4-5-12(17)19)20(9-19)10-25-20/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12?,13?,14?,17+,18-,19-,20+/m1/s1
InChIKey
HURSLIFUDKOZCY-YQUJCZTESA-N
Compound name
(1'R,2R,4'R,8'S,12'R)-4',8'-dimethylspiro[oxirane-2,13'-tetracyclo[10.2.1.01,9.03,8]pentadecane]-2',4'-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

348.19366 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20094 183.4
[M+Na]+ 371.18288 190.9
[M+NH4]+ 366.22748 197.0
[M+K]+ 387.15682 184.7
[M-H]- 347.18638 191.9
[M+Na-2H]- 369.16833 187.5
[M]+ 348.19311 188.5
[M]- 348.19421 188.5
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.