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7-Dehydropregnenolone

Properties

Image

Occurences in reactions

MNX_ID

MNXM735289

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₃₀O₂

charge

mass

314.22458

reference

chebi:174287

InChIKey

QTVNPWWLYMFLEI-IOHSXPNESA-N

InChI

InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1

SMILES

CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174287 chebi:174287	7-Dehydropregnenolone 1-[(3S,10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
sabiork.compound:20947 sabiorkM:20947	7-Dehydropregnenolone
hmdb:HMDB0013121	7-Dehydropregnenolone 1-[(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-14-yl]ethan-1-one 1-[(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-14-yl]ethanone 7-DHP
hmdb:HMDB13121	secondary/obsolete/fantasy identifier