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Substance Name: Milbemycin A4
RN: 51596-11-3
UNII: 9BSH89E55Y
InChIKey: VOZIAWLUULBIPN-LRBNAKOISA-N

Molecular Formula

  • C32-H46-O7

Molecular Weight

  • 542.7084
 
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Names and Synonyms

Name of Substance

  • Milbemycin A4

Synonyms

  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-ethylmilbemycin B
  • Milbemycin A4
  • UNII-9BSH89E55Y

Systematic Name

  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-, (6R,25R)-

Registry Numbers

CAS Registry Number

  • 51596-11-3

FDA UNII

  • 9BSH89E55Y

System Generated Number

  • 0051596113

Structure Descriptors

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

VOZIAWLUULBIPN-LRBNAKOISA-N

Smiles

CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\C[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213.5 deg C   EXP
log P (octanol-water) 5.9 (none)   EXP
Water Solubility 7.2 mg/L 20 EXP
Vapor Pressure 9.75E-11 mm Hg 20 EXP
Atmospheric OH Rate Constant 4.75E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.