CID 131750862

Solacauline

Structural Information

Molecular Formula
C43H69NO14
SMILES
CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(CO7)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)C
InChI
InChI=1S/C43H69NO14/c1-19-5-8-26-20(2)31-27(44(26)15-19)14-25-23-7-6-21-13-22(9-11-42(21,3)24(23)10-12-43(25,31)4)55-39-36(50)33(47)29(17-53-39)57-40-37(51)34(48)30(18-54-40)58-41-38(52)35(49)32(46)28(16-45)56-41/h6,19-20,22-41,45-52H,5,7-18H2,1-4H3
InChIKey
WNUZFFNCQHQMDD-UHFFFAOYSA-N
Compound name
2-[6-[4,5-dihydroxy-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

823.4718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.47908 289.7
[M+Na]+ 846.46102 290.4
[M-H]- 822.46452 282.2
[M+NH4]+ 841.50562 289.1
[M+K]+ 862.43496 294.8
[M+H-H2O]+ 806.46906 282.3
[M+HCOO]- 868.47000 289.9
[M+CH3COO]- 882.48565 292.6
[M+Na-2H]- 844.44647 303.5
[M]+ 823.47125 290.4
[M]- 823.47235 290.4
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.