(22S,23S)-Homobrassinolide

CAS Registry Number®

80483-89-2

CAS Name

(22S,23S)-Homobrassinolide

Molecular Formula

C29H50O6

Molecular Mass

494.70

Cite this Page

(22S,23S)-Homobrassinolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80483-89-2 (retrieved 2024-11-22) (CAS RN: 80483-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-,26-,28+,29+/m0/s1

InChIKey

InChIKey=HJIKODJJEORHMZ-DNVPGCTHSA-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)CC)O)O)C)[H])[H]

Canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(CC)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,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
  • B-Homo-7-oxastigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22S,23S)-
  • (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2S,3S,4S)-4-Ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
  • (22S,23S)-Homobrassinolide
  • Isohomobrassinolide

View All

Deleted or Replaced CAS Registry Numbers

90762-61-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration