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20,26-dihydroxyecdysone

MNXM9899 is deprecated and here replaced by MNXM741791
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741791 Image of MNXM741791
referencechebi:19793
formulaC27H44O8
global charge0
mol weight496.641
InChIKeyRRCGNPRHZQPOOT-FFBSXHGNSA-N
InChIInChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22+,23?,24+,25+,26+,27+/m0/s1
SMILESCC(O)(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=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/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22+,23?,24+,25+,26+,27+/m0/s1 Image of MNXM741791
SMILES (mnx)[CH3:1][C:23]([CH2:8][CH2:7][C@H:22]([C@@:26]([CH3:4])([C@H:21]1[CH2:6][CH2:10][C@@:27]2([OH:35])[C:16]3=[CH:11][C:18](=[O:29])[C@@H:17]4[CH2:12][C@@H:19]([OH:30])[C@@H:20]([OH:31])[CH2:13][C@:24]4([CH3:2])[C@H:15]3[CH2:5][CH2:9][C@:25]12[CH3:3])[OH:34])[OH:32])([CH2:14][OH:28])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:19793
chebi:19793
RRCGNPRHZQPOOT-FFBSXHGNSA-N 		20,26-dihydroxyecdysone
ergosta-5,24(28)-diene-3beta,20,26-triol

seed.compound:cpd16288
seedM:cpd16288
RRCGNPRHZQPOOT-FFBSXHGNSA-N 		20,26-Dihydroxyecdysone

kegg.compound:C16500
keggC:C16500
RRCGNPRHZQPOOT-FFBSXHGNSA-N 		20,26-Dihydroxyecdysone
(2beta,3beta,5beta,22R)-2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one

lipidmaps:LMST01010184
lipidmapsM:LMST01010184
RRCGNPRHZQPOOT-FFBSXHGNSA-N 		20,26-dihydroxyecdysone
O8
ST 27:2
ergosta-5,24(28)-diene-3beta,20,26-triol

keggC:M_C16500
seedM:M_cpd16288 		secondary/obsolete/fantasy identifier