CID 5279322

Lancifoldilactone g

Structural Information

Molecular Formula
C29H36O10
SMILES
C[C@H]1C[C@@]2([C@@H]3[C@H](C(=O)[C@]4([C@@H]3[C@]5(O2)C(=C6CC[C@@H]7[C@@](O[C@@H]8[C@@]7(C[C@]6(O5)CC4)OC(=O)C8)(C)CO)O)C)C)OC1=O
InChI
InChI=1S/C29H36O10/c1-13-10-28(37-23(13)34)19-14(2)21(32)24(3)7-8-26-11-27-16(25(4,12-30)35-17(27)9-18(31)36-27)6-5-15(26)22(33)29(38-26,39-28)20(19)24/h13-14,16-17,19-20,30,33H,5-12H2,1-4H3/t13-,14+,16+,17-,19+,20+,24+,25+,26+,27-,28+,29-/m0/s1
InChIKey
LTHLIQFAHGGQPW-YEJHDGNSSA-N
Compound name
(1R,3S,3'S,7S,9S,10R,15S,17S,18R,19R,21R,25R)-14-hydroxy-9-(hydroxymethyl)-3',9,19,21-tetramethylspiro[4,8,16,24-tetraoxaheptacyclo[13.8.1.115,18.01,13.03,7.03,10.021,25]pentacos-13-ene-17,5'-oxolane]-2',5,20-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.23083 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.23811 210.4
[M+Na]+ 567.22005 220.0
[M-H]- 543.22355 222.5
[M+NH4]+ 562.26465 228.5
[M+K]+ 583.19399 207.5
[M+H-H2O]+ 527.22809 213.3
[M+HCOO]- 589.22903 211.6
[M+CH3COO]- 603.24468 216.6
[M+Na-2H]- 565.20550 206.7
[M]+ 544.23028 212.2
[M]- 544.23138 212.2
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.