CID 73589

Sellowin a

Structural Information

Molecular Formula
C19H22O7
SMILES
CC(CO)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(C[C@H]6[C@@H]([C@@]5(C(=O)O4)C)O6)C
InChI
InChI=1S/C19H22O7/c1-7(6-20)13-19-9(4-10(21)24-13)17(2)5-8-14(23-8)18(3)12(17)11(15(19)26-19)25-16(18)22/h4,7-8,11-15,20H,5-6H2,1-3H3/t7?,8-,11-,12+,13+,14-,15+,17+,18+,19+/m0/s1
InChIKey
HFEAHCITXGPGJQ-BDCUKGRPSA-N
Compound name
(1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

362.13657 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14385 180.6
[M+Na]+ 385.12579 189.2
[M-H]- 361.12929 188.2
[M+NH4]+ 380.17039 188.1
[M+K]+ 401.09973 192.7
[M+H-H2O]+ 345.13383 177.1
[M+HCOO]- 407.13477 179.9
[M+CH3COO]- 421.15042 188.4
[M+Na-2H]- 383.11124 184.7
[M]+ 362.13602 191.4
[M]- 362.13712 191.4
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.