Homobrassinolide

CAS Registry Number®

74174-44-0

CAS Name

Homobrassinolide

Molecular Formula

C29H50O6

Molecular Mass

494.70

Cite this Page

Homobrassinolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74174-44-0 (retrieved 2024-11-25) (CAS RN: 74174-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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-OZXIRSPGSA-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(C([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,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)-
  • (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,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
  • Homobrassinolide
  • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,4S*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-[partial]-

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