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7beta,18-Dihydroxykaurenolide

PropertiesImage
MNX_IDMNXM118494 Image of MNXM118494
referencechebi:182585
formulaC20H28O4
global charge0
mol weight332.44
InChIKeyRDUNXXWNAKBVER-AJHBJYRYSA-N
InChIInChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(CO)C(=O)O[C@H]([C@H]21)[C@@H]3O
MNX internals
InChI (mnx)InChI=1/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1 Image of MNXM118494
SMILES (mnx)[CH2:1]=[C:11]1[CH2:8][C@:20]23[CH2:9][C@H:12]1[CH2:4][CH2:5][C@H:13]2[C@:18]1([CH3:2])[CH2:6][CH2:3][CH2:7][C@:19]2([CH2:10][OH:21])[C@H:15]1[C@H:14]([C@@H:16]3[OH:22])[O:24][C:17]2=[O:23]
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:182585
chebi:182585
RDUNXXWNAKBVER-AJHBJYRYSA-N 		7beta,18-Dihydroxykaurenolide
(1S,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
hmdb:HMDB0036761
RDUNXXWNAKBVER-UHFFFAOYSA-N 		7,18-Dihydroxykaurenolide
7beta,18-Dihydroxykaurenolide
9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one
ent-7a,18-Dihydroxy-16-kauren-19,6b-olide

CHEBI:190318
chebi:190318
RDUNXXWNAKBVER-UHFFFAOYSA-N 		7,18-Dihydroxykaurenolide
9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one

hmdb:HMDB36761 		secondary/obsolete/fantasy identifier