CID 6478982

(2r,3r,6r,8r,9r,10r,13e,17r,19r)-9-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,19-hexamethyl-4,11,16-trioxabicyclo[8.6.4]icos-13-ene-5,7,18-trione

Structural Information

Molecular Formula
C33H55NO10
SMILES
CC[C@@H]1[C@@](C2[C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C=C/CO2)C)C)C)(C)O
InChI
InChI=1S/C33H55NO10/c1-11-24-33(8,39)29-20(4)25(35)18(2)17-32(7,41-15-13-12-14-40-29)28(21(5)26(36)22(6)30(38)43-24)44-31-27(37)23(34(9)10)16-19(3)42-31/h12-13,18-24,27-29,31,37,39H,11,14-17H2,1-10H3/b13-12+/t18-,19-,20+,21+,22-,23+,24-,27-,28-,29?,31+,32-,33-/m1/s1
InChIKey
HZXPREMGTJZKHJ-UJMKRJCMSA-N
Compound name
(2R,3R,6R,8R,9R,10R,13E,17R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,19-hexamethyl-4,11,16-trioxabicyclo[8.6.4]icos-13-ene-5,7,18-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.38257 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.38985 251.8
[M+Na]+ 648.37179 254.9
[M-H]- 624.37529 250.2
[M+NH4]+ 643.41639 250.1
[M+K]+ 664.34573 260.0
[M+H-H2O]+ 608.37983 254.8
[M+HCOO]- 670.38077 248.0
[M+CH3COO]- 684.39642 267.6
[M+Na-2H]- 646.35724 290.8
[M]+ 625.38202 252.7
[M]- 625.38312 252.7
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.