Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-

HCID 6321425
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Grundinformationen

CAS
70209-81-3
Standard-SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InChIKey
VARHUCVRRNANBD-PVVXTEPVSA-N
Summenformel
C47H72O14
Durchschnittliche Molmasse
861,1 g/mol
Monoisotopische Masse
860,49220698

Überblick

22,23-dihydroavermectin B1b is a macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin. It is a macrocyclic lactone and a spiroketal. It is functionally related to an avermectin B1b.

Namen und Bezeichner

Bevorzugter Name
Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
IUPAC
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Lokaler Name
Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
Englischer Name
Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
Summenformel
C47H72O14
Molmasse
861.07

Namen und Synonyme

Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-RefChem:560403Ivermectin B1bAvermectin H2B1b70209-81-3Ivermectin Component B1bdihydroavermectin B1b22,23-dihydroavermectin B1b0W28CYI3TU(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-oneC47H72O14UNII-0W28CYI3TU
Weitere Namen anzeigen
Component B1bIvermectinH2B1b22,23- dihydroavermectin B1b (Ivermectin B1b)22,23-Dihydro-34-nor-5-O-demethylavermectin A1aDihydroaverMectin B1b, 22,23-DihydroaverMectin B1b22,23-Dihydro-5-O-demethyl-25-de(1-methylpropyl)-25-isopropylavermectin A1a
Stromectol (TN)Soolantra (TN)EINECS 274-384-5Sklice (TN)H2B1bIvermectin (JAN/USP/INN)SCHEMBL313003DTXSID3023182

Datenbank-Bezeichner

CAS
70209-81-3
PubChem CID
6321425
DTXSID
DTXSID3023182
ChEBI
CHEBI:63943
UNII
0W28CYI3TU
EC Number
274-384-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
170 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
14
Frei drehbare Bindungen
7
Schwere Atome
61

Physikochemische Eigenschaften

Siedepunkt
934.1 · 934.1±65.0 °C(Predicted)
Dichte
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
Löslichkeit
DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
Aggregatzustand
A solid
pka
12.42 · 12.42±0.70(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 1 Eintrag

Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

ridadr
2588
hazard_class
6.1(a)
packing_group
II

Chemie und Industrie

Anwendungen

VerwendenIvermectin B1b (dihydroavermectin B1b) is the minor component (

Anbieter31 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin.

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