CID 15885015

(3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione

Structural Information

Molecular Formula
C29H51NO10
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C29H51NO10/c1-11-20-29(8,37)24(34)16(4)21(31)14(2)13-28(7,36)25(17(5)22(32)18(6)26(35)39-20)40-27-23(33)19(30(9)10)12-15(3)38-27/h14-20,23-25,27,33-34,36-37H,11-13H2,1-10H3/t14-,15-,16+,17+,18-,19+,20-,23-,24-,25-,27+,28-,29-/m1/s1
InChIKey
JIDPOTJIBDIATB-QSEIGDMRSA-N
Compound name
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.3513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.358576 230.0
[M+Na]+ 596.340518 234.4
[M-H]- 572.344024 232.5
[M+NH4]+ 591.385123 231.9
[M+K]+ 612.314458 237.3
[M+H-H2O]+ 556.348560 230.5
[M+HCOO]- 618.349501 232.7
[M+CH3COO]- 632.365151 258.5
[M+Na-2H]- 594.325966 221.0
[M]+ 573.35075142 229.8
[M]- 573.35184858 229.8
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.