Doramectin

CAS Registry Number®

117704-25-3
No image available.

CAS Name

Doramectin

Molecular Formula

C50H74O14

Molecular Mass

899.11

Cite this Page

Doramectin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=117704-25-3 (retrieved 2024-03-29) (CAS RN: 117704-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116-119 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12-,28-17+,34-16-/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1

InChIKey

InChIKey=QLFZZSKTJWDQOS-VRWDTSQASA-N

SMILES

O[C@]/12[C@@]3(OC\C1=C\C=C/[C@H](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(\C)=C\C[C@@]6(C[C@](OC(=O)[C@@]2(C=C(C)[C@H]3O)[H])(C[C@@]7(O[C@@H]([C@@H](C)C=C7)C8CCCCC8)O6)[H])[H])[H]

Canonical SMILES

O=C1OC2CC(OC3(OC(C(C=C3)C)C4CCCCC4)C2)CC=C(C)C(OC5OC(C)C(OC6OC(C)C(O)C(OC)C6)C(OC)C5)C(C=CC=C7COC8C(O)C(=CC1C78O)C)C

Other Names for this Substance

  • Avermectin A1a, 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
  • 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a
  • Doramectin
  • UK 67994

Deleted or Replaced CAS Registry Numbers

157544-18-8

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