CAS Registry Number®
CAS Name
Ivermectin B1b
Molecular Formula
C47H72O14
Molecular Mass
861.07
Other Names and Identifiers
InChI
InChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11-,26-14+,31-13-/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
InChIKey
InChIKey=VARHUCVRRNANBD-BVCUBFAHSA-N
SMILES
C(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](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])CC[C@@H]1C
Canonical SMILES
O=C1OC2CC(OC3(OC(C(C)C)C(C)CC3)C2)CC=C(C)C(OC4OC(C)C(OC5OC(C)C(O)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC1C67O)C)C
Other Names for this Substance
- Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
- Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
- 5-O-Demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)avermectin A1a
- 22,23-Dihydroavermectin B1b
- Ivermectin B1b
Deleted or Replaced CAS Registry Numbers
91852-98-1, 116050-60-3, 116522-64-6, 1348582-08-0
