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6-deoxo-28-homodolichosterone

PropertiesImage
MNX_IDMNXM118392 Image of MNXM118392
referencemetacycM:CPD-25299
formulaC29H50O4
global charge0
mol weight462.715
InChIKeyGQSRIBUSVVSLSQ-UJSZMYHFSA-N
InChIInChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+/t17-,18-,20-,21+,22-,23-,24-,25+,26+,27+,28+,29-/m0/s1
SMILESC/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+/t17-,18-,20-,21+,22-,23-,24-,25+,26+,27+,28+,29-/m0/s1 Image of MNXM118392
SMILES (mnx)[CH3:1]/[CH:7]=[C:19](\[CH:16]([CH3:2])[CH3:3])[C@H:27]([C@@H:26]([C@@H:17]([CH3:4])[C@H:21]1[CH2:10][CH2:11][C@H:22]2[C@@H:20]3[CH2:9][CH2:8][C@H:18]4[CH2:14][C@H:24]([OH:30])[C@H:25]([OH:31])[CH2:15][C@:29]4([CH3:6])[C@H:23]3[CH2:12][CH2:13][C@:28]12[CH3:5])[OH:32])[OH:33]
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

metacyc.compound:CPD-25299
metacycM:CPD-25299
GQSRIBUSVVSLSQ-UJSZMYHFSA-N 		6-deoxo-28-homodolichosterone
6-deoxo-28-homoDS
hmdb:HMDB0301796
GQSRIBUSVVSLSQ-AVVHWGPOSA-N 		6-Deoxo-28-homo-dolichosterone
(2S,4R,5S,7S,15S)-14-[(2S,3R,4R,5E)-3,4-dihydroxy-5-(propan-2-yl)hept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol
(2S,4R,5S,7S,15S)-14-[(2S,3R,4R,5E)-3,4-dihydroxy-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol
hmdb:HMDB0034430
GQSRIBUSVVSLSQ-FBCYGCLPSA-N 		6-Deoxohomodolichosterone
14-[(5E)-3,4-dihydroxy-5-(propan-2-yl)hept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol
14-[(5E)-3,4-dihydroxy-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol
Methyl 3-amino-2,3,6-trideoxyhexopyranoside

CHEBI:172694
chebi:172694
GQSRIBUSVVSLSQ-FBCYGCLPSA-N 		6-Deoxohomodolichosterone
17-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

hmdb:HMDB34430 		secondary/obsolete/fantasy identifier