CID 25446

Nimbic acid

Structural Information

Molecular Formula
C26H30O8
SMILES
CC1=C2C(CC1C3=COC=C3)OC4[C@@]2([C@@H]([C@@]5(C(C4C(=O)O)[C@](C=CC5=O)(C)C(=O)O)C)CO)C
InChI
InChI=1S/C26H30O8/c1-12-14(13-6-8-33-11-13)9-15-19(12)26(4)16(10-27)25(3)17(28)5-7-24(2,23(31)32)20(25)18(22(29)30)21(26)34-15/h5-8,11,14-16,18,20-21,27H,9-10H2,1-4H3,(H,29,30)(H,31,32)/t14?,15?,16-,18?,20?,21?,24-,25+,26-/m1/s1
InChIKey
LACLJUZVQWMXBS-VNQZPSTLSA-N
Compound name
(4R,8S,9S,10R)-13-(furan-3-yl)-9-(hydroxymethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

470.19406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20134 202.8
[M+Na]+ 493.18328 208.8
[M+NH4]+ 488.22788 211.3
[M+K]+ 509.15722 207.2
[M-H]- 469.18678 204.6
[M+Na-2H]- 491.16873 202.2
[M]+ 470.19351 204.2
[M]- 470.19461 204.2
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.