Epibrassinolide

CAS Registry Number®

78821-43-9
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CAS Name

Epibrassinolide

Molecular Formula

C28H48O6

Molecular Mass

480.68

Cite this Page

Epibrassinolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78821-43-9 (retrieved 2024-04-29) (CAS RN: 78821-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1

InChIKey

InChIKey=IXVMHGVQKLDRKH-QHBHMFGVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](C(=O)OC3)(C[C@H](O)[C@H](O)C4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H]([C@@H]([C@@H](C(C)C)C)O)O)C)[H])[H]

Canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
  • B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-
  • (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4R)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
  • 24-Epibrassinolide
  • Epibrassinolide R

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Deleted or Replaced CAS Registry Numbers

72075-02-6, 126721-49-1

CAS INSIGHTSTM
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