(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B

CAS Registry Number®

51596-10-2
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CAS Name

(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B

Molecular Formula

C31H44O7

Molecular Mass

528.68

Cite this Page

(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=51596-10-2 (retrieved 2024-04-25) (CAS RN: 51596-10-2).  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/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9+,23-8-/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1

InChIKey

InChIKey=ZLBGSRMUSVULIE-HMQIVIIHSA-N

SMILES

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(C)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-methyl-, (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-methylmilbemycin B
  • Antibiotic B 41A3
  • Milbemycin α1

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Deleted or Replaced CAS Registry Numbers

56197-00-3

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