CID 53355453

Veraguamide g

Structural Information

Molecular Formula
C37H62N4O8
SMILES
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)C(C)C)C)CCCC=C)C(C)C)C
InChI
InChI=1S/C37H62N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h13,21-31H,1,14-20H2,2-12H3,(H,38,42)/t24-,25-,26-,27+,28-,29-,30-,31-/m0/s1
InChIKey
DUFQJKUNMNJPAD-AVCHBABLSA-N
Compound name
(3S,6S,9S,12S,13R,16S,19S)-3-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-enyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

690.4568 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.46408 265.1
[M+Na]+ 713.44602 267.1
[M-H]- 689.44952 264.0
[M+NH4]+ 708.49062 256.7
[M+K]+ 729.41996 265.0
[M+H-H2O]+ 673.45406 263.7
[M+HCOO]- 735.45500 259.8
[M+CH3COO]- 749.47065 281.2
[M+Na-2H]- 711.43147 244.6
[M]+ 690.45625 263.8
[M]- 690.45735 263.8
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.