Spiramycin III

CAS Registry Number®

24916-52-7
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CAS Name

Spiramycin III

Molecular Formula

C46H78N2O15

Molecular Mass

899.12

Cite this Page

Spiramycin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24916-52-7 (retrieved 2024-05-18) (CAS RN: 24916-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-131 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1

InChIKey

InChIKey=HSZLKTCKAYXVBX-LYIMTGTFSA-N

SMILES

O([C@@H]1[C@@H](OC)[C@H](OC(CC)=O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2O[C@H](C)[C@@H](N(C)C)CC2)[C@H](C)C[C@@H]1CC=O)[C@H]3[C@H](O)[C@@H](N(C)C)[C@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H](C)O3

Canonical SMILES

O=CCC1CC(C)C(OC2OC(C)C(N(C)C)CC2)C=CC=CCC(OC(=O)CC(OC(=O)CC)C(OC)C1OC3OC(C)C(OC4OC(C)C(O)C(O)(C)C4)C(N(C)C)C3O)C

Other Names for this Substance

  • Leucomycin V, 9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-propanoate
  • Spiramycin C
  • Leucomycin V, 9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-propanoate, [9(2R,5S,6R)]-
  • Spiramycin III
  • Oxacyclohexadecane, leucomycin V deriv.

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Deleted or Replaced CAS Registry Numbers

1403-59-4, 1405-27-2, 11001-07-3, 13441-33-3, 13445-44-8, 13429-99-7, 23410-82-4, 33299-71-7, 708989-56-4, 203005-19-0

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