(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one

CAS Registry Number®

25129-91-3
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CAS Name

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one

Molecular Formula

C18H28O4

Molecular Mass

308.41

Cite this Page

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25129-91-3 (retrieved 2024-05-21) (CAS RN: 25129-91-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    83-84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1

InChIKey

InChIKey=BYWWNDLILWPPJP-REXWONOSSA-N

SMILES

O(C)[C@H]\1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C1\C

Canonical SMILES

O=C1OC(C)C(C)CCC=C(C)C(OC)C=CC(O)(C=C1)C

Other Names for this Substance

  • Oxacyclotetradeca-3,6,9-trien-2-one, 5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-, (3E,5R,6E,8S,9E,13S,14R)-
  • Albocycline
  • Oxacyclotetradeca-3,6,9-trien-2-one, 5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-, [5R-(3E,5R*,6E,8S*,9E,13S*,14R*)]-
  • Oxacyclotetradecane, albocycline deriv.
  • (3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one

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Deleted or Replaced CAS Registry Numbers

11033-24-2, 12798-50-4

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