Borrelidin

CAS Registry Number®

7184-60-3
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CAS Name

Borrelidin

Molecular Formula

C28H43NO6

Molecular Mass

489.64

Cite this Page

Borrelidin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7184-60-3 (retrieved 2024-04-23) (CAS RN: 7184-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5-,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

InChIKey

InChIKey=OJCKRNPLOZHAOU-MNKIFKDHSA-N

SMILES

C(O)(=O)[C@H]1[C@@](CCC1)([C@]2(OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@@H](O)\C(\C#N)=C\C=C/C2)[H])[H]

Canonical SMILES

N#CC1=CC=CCC(OC(=O)CC(O)C(C)CC(C)CC(C)CC(C)C1O)C2CCCC2C(=O)O

Other Names for this Substance

  • Cyclopentanecarboxylic acid, 2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]-, (1R,2R)-
  • Cyclopentanecarboxylic acid, 2-(7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl)-, [2S-[2R*(1S*,2S*),4E,6Z,8S*,9R*,11S*,13R*,15R*,16R*]]-
  • Borrelidin
  • Oxacyclooctadecane, cyclopentanecarboxylic acid deriv.
  • (1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid

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Deleted or Replaced CAS Registry Numbers

97328-74-0, 1403-11-8

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