CID 9865731

Fr182877

Structural Information

Molecular Formula
C24H32O5
SMILES
C[C@@H]1[C@H]([C@H]2C=C([C@H]3C[C@H]4[C@@H]([C@H]3[C@@H]2[C@H]1O)C5=C6[C@H]([C@@H](CC[C@]4(O6)C)OC5=O)C)C)O
InChI
InChI=1S/C24H32O5/c1-9-7-13-17(21(26)11(3)20(13)25)16-12(9)8-14-18(16)19-22-10(2)15(28-23(19)27)5-6-24(14,4)29-22/h7,10-18,20-21,25-26H,5-6,8H2,1-4H3/t10-,11+,12+,13-,14-,15+,16+,17+,18-,20+,21-,24+/m0/s1
InChIKey
WMRQHSFWMFGIFW-OUNSMTAHSA-N
Compound name
(1R,2S,4S,7S,8S,9S,10R,11S,12S,13R,17R,18S)-8,10-dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

0
Patents

400.22498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 195.3
[M+Na]+ 423.21420 202.1
[M-H]- 399.21770 199.5
[M+NH4]+ 418.25880 213.9
[M+K]+ 439.18814 198.1
[M+H-H2O]+ 383.22224 193.6
[M+HCOO]- 445.22318 197.1
[M+CH3COO]- 459.23883 202.9
[M+Na-2H]- 421.19965 192.9
[M]+ 400.22443 193.3
[M]- 400.22553 193.3
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.