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28-Homobrassinolide

PropertiesImage
MNX_IDMNXM819799 Image of MNXM819799
referencechebi:180809
formulaC29H50O6
global charge0
mol weight494.713
InChIKeyHJIKODJJEORHMZ-NNPZUXBVSA-N
InChIInChI=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
SMILESCC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM819799
SMILES (mnx)[CH3:1][CH2:7][C@@H:17]([CH:15]([CH3:2])[CH3:3])[C@H:26]([C@@H:25]([C@@H:16]([CH3:4])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@@H:18]3[CH2:14][O:35][C:27](=[O:34])[C@H:22]4[CH2:12][C@H:23]([OH:30])[C@H:24]([OH:31])[CH2:13][C@:29]4([CH3:6])[C@H:21]3[CH2:10][CH2:11][C@:28]12[CH3:5])[OH:32])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:180809
chebi:180809
HJIKODJJEORHMZ-NNPZUXBVSA-N
28-Homobrassinolide
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

sabiork.compound:31335
sabiorkM:31335
HJIKODJJEORHMZ-NNPZUXBVSA-N
(22R,23R)-28-Homobrassinolide

seed.compound:cpd26627
seedM:cpd26627
HJIKODJJEORHMZ-NNPZUXBVSA-N
(22R,23R)-28-homobrassinolide
B-homo-7-oxastigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R)-

metacyc.compound:CPDQT-326
metacycM:CPDQT-326
HJIKODJJEORHMZ-NNPZUXBVSA-N
28-homobrassinolide
28-homoBL
B-homo-7-oxastigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R)-

seedM:M_cpd26627
secondary/obsolete/fantasy identifier