Bafilomycin A1

CAS Registry Number®

88899-55-2
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CAS Name

Bafilomycin A1

Molecular Formula

C35H58O9

Molecular Mass

622.83

Cite this Page

Bafilomycin A1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88899-55-2 (retrieved 2024-04-19) (CAS RN: 88899-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17+/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1

InChIKey

InChIKey=XDHNQDDQEHDUTM-DYKYWCSGSA-N

SMILES

[C@@H]([C@@H]([C@H](C)[C@@]1([C@@H](OC)/C=C/C=C(\C)/C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(\OC)/C(=O)O1)[H])O)(C)[C@]2(O)O[C@H](C(C)C)[C@@H](C)[C@H](O)C2

Canonical SMILES

O=C1OC(C(OC)C=CC=C(C)CC(C)C(O)C(C=C(C=C1OC)C)C)C(C)C(O)C(C)C2(O)OC(C(C)C)C(C)C(O)C2

Other Names for this Substance

  • Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 8-hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-
  • Hygrolidin, 21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-
  • Oxacyclohexadecane, hygrolidin deriv.
  • (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
  • Bafilomycin A1

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