CID 134816653

(e,z)-dihydroxy-bis[(2e,4e)-1-hydroxyhexa-2,4-dienylidene]-trimethyl-[?]dione

Structural Information

Molecular Formula
C27H30O8
SMILES
C/C=C/C=C/C(=C\1/C2C3C(=O)/C(=C(/C=C/C=C/C)\O)/C4[C@](C1=O)([C@@]5([C@]2(O[C@]3([C@]4(O5)C)O)C)O)C)/O
InChI
InChI=1S/C27H30O8/c1-6-8-10-12-14(28)16-18-19-20(30)17(15(29)13-11-9-7-2)21-23(3,22(16)31)27(33)24(18,4)34-26(19,32)25(21,5)35-27/h6-13,18-19,21,28-29,32-33H,1-5H3/b8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t18?,19?,21?,23-,24+,25+,26-,27-/m1/s1
InChIKey
ULPDBVGKXVRYQX-IOBWHKLNSA-N
Compound name
(1S,3R,4R,6E,8S,10R,13Z)-3,10-dihydroxy-6,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,8-trimethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecane-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.19406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20134 238.6
[M+Na]+ 505.18328 242.6
[M-H]- 481.18678 236.9
[M+NH4]+ 500.22788 246.8
[M+K]+ 521.15722 239.6
[M+H-H2O]+ 465.19132 235.4
[M+HCOO]- 527.19226 236.1
[M+CH3COO]- 541.20791 245.3
[M+Na-2H]- 503.16873 231.0
[M]+ 482.19351 238.6
[M]- 482.19461 238.6
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.