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20-hydroxyecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM733384

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₇H₄₄O₇

charge

mass

480.3087

reference

chebi:16587

InChIKey

NKDFYOWSKOHCCO-YPVLXUMRSA-N

InChI

InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

SMILES

CC(C)(O)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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16587 chebi:16587	20-hydroxyecdysone (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one 20-Hydroxyecdysone 20-OH ecdysone Crustecdysone Ecdysterone beta-Ecdysone beta-Ecdysterone
sabiork.compound:6287 sabiorkM:6287	20-Hydroxyecdysone
lipidmaps:LMST01010209 lipidmapsM:LMST01010209	20-hydroxyecdysone 20-Hydroxyecdysone 20-OH ecdysone 2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one O7 ST 27:2
hmdb:HMDB0030180	Crustecdysone (1R,2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one 20 Hydroxyecdysone 20-OH Ecdysone Beta Ecdysone Ecdysterone b-Ecdysone b-Ecdysterone beta-Ecdysone beta-Ecdysterone beta-ecdysone beta-ecdysterone
hmdb:HMDB30180 chebi:11661 chebi:1292 chebi:19795 chebi:49387 chebi:57827	secondary/obsolete/fantasy identifier