CID 124223327

Ponicidin

Structural Information

Molecular Formula
C20H26O6
SMILES
CC1(CC[C@@H](C23[C@@H]1[C@@H]([C@@]4([C@]56[C@H]2CC[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C
InChI
InChI=1S/C20H26O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18?,19-,20+/m0/s1
InChIKey
WHRDRHNMTIXZNY-AMOJAPPFSA-N
Compound name
(2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

55
Patents

362.17294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 177.2
[M+Na]+ 385.16216 184.1
[M+NH4]+ 380.20676 191.5
[M+K]+ 401.13610 174.6
[M-H]- 361.16566 177.8
[M+Na-2H]- 383.14761 173.0
[M]+ 362.17239 178.8
[M]- 362.17349 178.8
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.