(4′′R)-4′′-(Acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4′′-deoxy-25-(1-methylethyl)avermectin A1a
CAS Registry Number®
CAS Name
(4′′R)-4′′-(Acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4′′-deoxy-25-(1-methylethyl)avermectin A1aMolecular Formula
C49H73NO14Molecular Mass
900.10Cite this Page
(4′′R)-4′′-(Acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4′′-deoxy-25-(1-methylethyl)avermectin A1a. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=133305-89-2 (retrieved ) (CAS RN: 133305-89-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15+,33-14-/t26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,48+,49+/m0/s1
InChIKey
InChIKey=WPNHOHPRXXCPRA-KVJBVXFHSA-N
SMILES
[C@@H](C)(C)[C@H]1O[C@@]2(C[C@@]3(C[C@](O2)(C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C/6\[C@@]7(O)[C@](C(=O)O3)(C=C(C)[C@@H](O)[C@]7(OC6)[H])[H])[H])[H])C=C[C@@H]1C
Canonical SMILES
O=C1OC2CC(OC3(OC(C(C=C3)C)C(C)C)C2)CC=C(C)C(OC4OC(C)C(OC5OC(C)C(NC(=O)C)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC1C67O)C)C
Other Names for this Substance
- Avermectin A1a, 4′′-(acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4′′-deoxy-25-(1-methylethyl)-, (4′′R)-
- Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
- (4′′R)-4′′-(Acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4′′-deoxy-25-(1-methylethyl)avermectin A1a
- Eprinomectin B1b
- Eprinomectin component B1b
