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7-oxatyphasterol

MNXM10432 is deprecated and here replaced by MNXM1369333
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369333 Image of MNXM1369333
referencechebi:185407
formulaC28H48O5
global charge0
mol weight464.687
InChIKeyLLFIMDUWAVPJEJ-AVWWTISCSA-N
InChIInChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
SMILESCC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1 Image of MNXM1369333
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C@H:16]([CH3:3])[C@H:24]([C@@H:25]([C@@H:17]([CH3:4])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@@H:19]3[CH2:14][O:33][C:26](=[O:32])[C@H:23]4[CH2:13][C@H:18]([OH:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[C@H:22]3[CH2:10][CH2:12][C@:27]12[CH3:5])[OH:31])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:185407
chebi:185407
LLFIMDUWAVPJEJ-AVWWTISCSA-N 		7-oxatyphasterol
(1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0(2,7).0(12,16)]octadecan-8-one
(22R,23R,24S)-3alpha,22,23-trihydroxy-7-oxa-5alpha-ergostane-6-one
(3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
2-deoxybrassinolide
3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone
7-oxotyphasterol

lipidmaps:LMST01140003
lipidmapsM:LMST01140003
LLFIMDUWAVPJEJ-AVWWTISCSA-N 		7-oxotyphasterol
3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone
O5
ST 28:1

chebi:175661
chebi:81307 		secondary/obsolete/fantasy identifier