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26-hydroxycastasterone

MNXM9922 is deprecated and here replaced by MNXM741800
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741800 Image of MNXM741800
referencechebi:133216
formulaC28H48O6
global charge0
mol weight480.686
InChIKeyGIHKVCBPOTYEGP-ZHTUDUEMSA-N
InChIInChI=1S/C28H48O6/c1-14(13-29)15(2)25(33)26(34)16(3)18-6-7-19-17-10-22(30)21-11-23(31)24(32)12-28(21,5)20(17)8-9-27(18,19)4/h14-21,23-26,29,31-34H,6-13H2,1-5H3/t14?,15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
SMILESCC(CO)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=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/C28H48O6/c1-14(13-29)15(2)25(33)26(34)16(3)18-6-7-19-17-10-22(30)21-11-23(31)24(32)12-28(21,5)20(17)8-9-27(18,19)4/h14-21,23-26,29,31-34H,6-13H2,1-5H3/t14?,15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1 Image of MNXM741800
SMILES (mnx)[CH3:1][CH:14]([CH2:13][OH:29])[C@H:15]([CH3:2])[C@H:25]([C@@H:26]([C@@H:16]([CH3:3])[C@H:18]1[CH2:6][CH2:7][C@H:19]2[C@@H:17]3[CH2:10][C:22](=[O:30])[C@H:21]4[CH2:11][C@H:23]([OH:31])[C@H:24]([OH:32])[CH2:12][C@:28]4([CH3:5])[C@H:20]3[CH2:8][CH2:9][C@:27]12[CH3:4])[OH:34])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133216
chebi:133216
GIHKVCBPOTYEGP-ZHTUDUEMSA-N 		26-hydroxycastasterone
(22R,23R)-2alpha,3alpha,22,23,26-pentahydroxy-5alpha-campestan-6-one
(2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22,23,26-pentahydroxyergostan-6-one