CID 10699960

5-{9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one

Structural Information

Molecular Formula
C43H65NO7
SMILES
CC1CC(OC1=O)C2=C(C3/C=C(/C(CC4C(CC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC7=NCC(C(CC37CC2)C)C)(C)O)C)O)\C)C
InChI
InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19+
InChIKey
DCBUZOVCNASVLD-LGUFXXKBSA-N
Compound name
5-[(10E)-9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-3-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.4761 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.48338 258.0
[M+Na]+ 730.46532 259.5
[M-H]- 706.46882 263.7
[M+NH4]+ 725.50992 263.3
[M+K]+ 746.43926 256.3
[M+H-H2O]+ 690.47336 256.7
[M+HCOO]- 752.47430 247.3
[M+CH3COO]- 766.48995 257.8
[M+Na-2H]- 728.45077 244.3
[M]+ 707.47555 249.2
[M]- 707.47665 249.2
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.