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11b,17a,21-Trihydroxypreg-nenolone

Properties

Image

Occurences in reactions

MNX_ID

MNXM5423

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

formula

C₂₁H₃₂O₅

charge

mass

364.22497

reference

chebi:171954

InChIKey

HAFVWTUQBYRPOB-QGGNSXJXSA-N

InChI

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1

SMILES

CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C1CC[C@]2(O)C(=O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:171954 chebi:171954	11b,17a,21-Trihydroxypreg-nenolone 2-hydroxy-1-[(17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
hmdb:HMDB0006760	11b,17a,21-Trihydroxypreg-nenolone 11beta,17alpha,21-Trihydroxypreg-nenolone 11beta,17alpha,21-Trihydroxypregnenolone 2-hydroxy-1-[(14R)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethan-1-one 2-hydroxy-1-[(14R)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethanone
hmdb:HMDB0006761 hmdb:HMDB06760 hmdb:HMDB06761	secondary/obsolete/fantasy identifier