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6-deoxycathasterone

PropertiesImage
MNX_IDMNXM1371645 Image of MNXM1371645
referencechebi:20714
formulaC28H50O2
global charge0
mol weight418.706
InChIKeyZHZKWZJLUNXOSN-YUZBOUAZSA-N
InChIInChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
SMILESCC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1 Image of MNXM1371645
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@H:18]([CH3:3])[CH2:15][C@@H:26]([C@@H:19]([CH3:4])[C@H:23]1[CH2:9][CH2:10][C@H:24]2[C@@H:22]3[CH2:8][CH2:7][C@H:20]4[CH2:16][C@@H:21]([OH:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:25]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20714
chebi:20714
ZHZKWZJLUNXOSN-YUZBOUAZSA-N 		6-deoxycathasterone
(22S)-5alpha-campestane-3beta,22-diol
6-Deoxocathasterone

sabiork.compound:27921
sabiorkM:27921
ZHZKWZJLUNXOSN-YUZBOUAZSA-N 		6-Deoxocathasterone

seed.compound:cpd14534
seedM:cpd14534
ZHZKWZJLUNXOSN-YUZBOUAZSA-N 		6-Deoxocathasterone
6-deoxocathasterone
deoxocathasterone

lipidmaps:LMST01030124
lipidmapsM:LMST01030124
ZHZKWZJLUNXOSN-YUZBOUAZSA-N 		6-Deoxocathasterone
O2
ST 28:0
campestan-3beta,22S-diol

metacyc.compound:CPD-712
metacycM:CPD-712
ZHZKWZJLUNXOSN-YUZBOUAZSA-N 		6-deoxocathasterone
(22S)-5alpha-campestane-3beta,22-diol
deoxocathasterone

seedM:M_cpd14534 		secondary/obsolete/fantasy identifier