CID 156580880

Formicolide a

Structural Information

Molecular Formula
C33H48O8
SMILES
CCC[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@H](C)[C@@H]2C/C=C/C=C/[C@@H](C(=O)/C(=C/C=C/C(=C/[C@H](/C(=C/CC(=O)O2)/C)O)/C)/C)O)C)O)O
InChI
InChI=1S/C33H48O8/c1-7-18-33(39)20-28(36)24(5)32(41-33)25(6)29-15-10-8-9-14-26(34)31(38)23(4)13-11-12-21(2)19-27(35)22(3)16-17-30(37)40-29/h8-14,16,19,24-29,32,34-36,39H,7,15,17-18,20H2,1-6H3/b10-8+,12-11+,14-9+,21-19+,22-16+,23-13+/t24-,25-,26+,27-,28+,29+,32-,33-/m1/s1
InChIKey
VBMHBEBBOYSDHS-UCXQCCCXSA-N
Compound name
(4E,6R,7E,9E,11E,14S,15E,17E,20S)-20-[(1R)-1-[(2R,3R,4S,6R)-4,6-dihydroxy-3-methyl-6-propyloxan-2-yl]ethyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacycloicosa-4,7,9,11,15,17-hexaene-2,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

572.3349 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.34218 240.1
[M+Na]+ 595.32412 243.2
[M-H]- 571.32762 243.1
[M+NH4]+ 590.36872 238.0
[M+K]+ 611.29806 242.6
[M+H-H2O]+ 555.33216 237.2
[M+HCOO]- 617.33310 244.4
[M+CH3COO]- 631.34875 244.0
[M+Na-2H]- 593.30957 230.6
[M]+ 572.33435 236.1
[M]- 572.33545 236.1
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.