CID 131752206

Artenolide

Structural Information

Molecular Formula
C30H40O8
SMILES
C[C@H]1[C@@H]2CC[C@](C3=C([C@H]2OC1=O)C4(CC3C5(C4)[C@@H]6CCC(C7=CC(C(C7[C@H]6OC5=O)(C)O)O)(C)O)C)(C)O
InChI
InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1
InChIKey
INWDFSUZZFAFBJ-HXCFRXSLSA-N
Compound name
(3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.27234 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.27962 203.1
[M+Na]+ 551.26156 202.5
[M+NH4]+ 546.30616 210.6
[M+K]+ 567.23550 203.3
[M-H]- 527.26506 202.6
[M+Na-2H]- 549.24701 199.7
[M]+ 528.27179 203.1
[M]- 528.27289 203.1
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.