Ebelactone B

CAS Registry Number®

76808-15-6

CAS Name

Ebelactone B

Molecular Formula

C21H36O4

Molecular Mass

352.51

Cite this Page

Ebelactone B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76808-15-6 (retrieved 2024-12-23) (CAS RN: 76808-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71-72 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36O4/c1-8-13(4)18(22)16(7)19(23)14(5)10-12(3)11-15(6)20-17(9-2)21(24)25-20/h10,13-18,20,22H,8-9,11H2,1-7H3/b12-10+/t13-,14-,15+,16+,17+,18-,20+/m1/s1

InChIKey

InChIKey=UNBMQQNYLCPCHS-VYNDPHDASA-N

SMILES

[C@@H](C/C(=C/[C@H](C([C@H]([C@@H]([C@@H](CC)C)O)C)=O)C)/C)(C)[C@]1([C@H](CC)C(=O)O1)[H]

Canonical SMILES

O=C1OC(C1CC)C(C)CC(=CC(C(=O)C(C)C(O)C(C)CC)C)C

Other Names for this Substance

  • 2-Oxetanone, 3-ethyl-4-[(1S,3E,5R,7S,8R,9R)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecen-1-yl]-, (3S,4S)-
  • 2-Oxetanone, 3-ethyl-4-(8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecenyl)-, [3S-[3α,4β(1R*,3E,5S*,7R*,8S*,9S*)]]-
  • 2-Oxetanone, 3-ethyl-4-[(1S,3E,5R,7S,8R,9R)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecenyl]-, (3S,4S)-
  • (3S,4S)-3-Ethyl-4-[(1S,3E,5R,7S,8R,9R)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecen-1-yl]-2-oxetanone
  • Ebelactone B

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