Filipin III

CAS Registry Number®

480-49-9
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CAS Name

Filipin III

Molecular Formula

C35H58O11

Molecular Mass

654.83

Cite this Page

Filipin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=480-49-9 (retrieved 2024-04-25) (CAS RN: 480-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-180 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13-,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1

InChIKey

InChIKey=IMQSIXYSKPIGPD-RKJXOJQUSA-N

SMILES

[C@H](CCCCC)(O)[C@@]1([C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)/C(/C)=C/C=C/C=C/C=C/C=C\[C@H](O)[C@@H](C)OC1=O)[H]

Canonical SMILES

O=C1OC(C)C(O)C=CC=CC=CC=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C1C(O)CCCCC

Other Names for this Substance

  • Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-, (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-
  • Filipin
  • Filipin III
  • Oxacyclooctacosane, filipin III deriv.
  • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-Octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one

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Deleted or Replaced CAS Registry Numbers

10109-08-7, 11006-21-6, 27115-88-4, 875829-47-3

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