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17-Ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-azido-3"-allyloxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone

HCID 86746331
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOC1CC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)CC(C)=CC(CC)C(=O)CC(O[Si](C)(C)C(C)(C)C)C2C)C(OC)CC3C)CCC1N=[N+]=[N-]
InChIKey
RZFBNWWPDGZHMM-UHFFFAOYSA-N
Molecular formula
C51H84N4O11Si
Average molar mass
957.3 g/mol

Names & identifiers

Preferred name
17-Ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-azido-3"-allyloxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
IUPAC
12-[1-(4-azido-3-prop-2-enoxycyclohexyl)prop-1-en-2-yl]-14-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Names & synonyms

RZFBNWWPDGZHMM-UHFFFAOYSA-N17-ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-azido-3"-allyloxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone

Database identifiers

PubChem CID
86746331

Properties

Computed structural properties

Topological polar surface area
161 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
12
Heavy atoms
67
Formal charge
0
Complexity
1,840

Related reactions

2 records
New reaction record
HRID 373272 reaction equation
HRID 373272As reactantuspto-grants-1992_11
HRID 961720 reaction equation
HRID 961720As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes