Milbemycin A4

CAS Registry Number®

51596-11-3
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CAS Name

Milbemycin A4

Molecular Formula

C32H46O7

Molecular Mass

542.70

Cite this Page

Milbemycin A4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=51596-11-3 (retrieved 2024-04-18) (CAS RN: 51596-11-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7-,20-10+,23-9-/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1

InChIKey

InChIKey=VOZIAWLUULBIPN-QWYIZMBNSA-N

SMILES

C(C)[C@H]1O[C@@]2(C[C@@]3(C[C@](O2)(C/C=C(\C)/C[C@@H](C)\C=C/C=C/4\[C@@]5(O)[C@](C(=O)O3)(C=C(C)[C@@H](O)[C@]5(OC4)[H])[H])[H])[H])CC[C@@H]1C

Canonical SMILES

O=C1OC2CC(OC3(OC(CC)C(C)CC3)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC1C45O)C)C

Other Names for this Substance

  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-, (6R,25R)-
  • Spiro[11,15-methano-2H,7H,13H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], milbemycin B deriv.
  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-ethylmilbemycin B
  • Antibiotic B 41A4
  • Milbemycin α3

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Deleted or Replaced CAS Registry Numbers

56197-02-5

CAS INSIGHTSTM
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