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solasodine

PropertiesImage
MNX_IDMNXM1108323 Image of MNXM1108323
referencechebi:145043
formulaC27H44NO2
global charge1
mol weight414.654
InChIKeyKWVISVAMQJWJSZ-VKROHFNGSA-O
InChIInChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/p+1/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILESC[C@@H]1CC[C@@]2([NH2+]C1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
MNX internals
InChI (mnx)InChI=1/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 Image of MNXM1108323
SMILES (mnx)[CH3:1][C@@H:16]1[CH2:7][CH2:12][C@@:27]2([C@@H:17]([CH3:2])[C@H:24]3[C@H:23]([CH2:14][C@H:22]4[C@@H:20]5[CH2:6][CH:5]=[C:18]6[CH2:13][C@@H:19]([OH:29])[CH2:8][CH2:10][C@:25]6([CH3:3])[C@H:21]5[CH2:9][CH2:11][C@@:26]43[CH3:4])[O:30]2)[NH:28][CH2:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145043
chebi:145043
KWVISVAMQJWJSZ-VKROHFNGSA-O 		solasodine
(25R)-3beta-hydroxy-22alpha-spirosol-5-en-28-ium
(2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-2-hydroxy-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidinium]
solasod-5-en-3beta-ol(1+)
solasodine(1+)
solasodinium

sabiork.compound:12903
sabiorkM:12903
KWVISVAMQJWJSZ-VKROHFNGSA-N 		Solasodine

kegg.compound:C10822
keggC:C10822
KWVISVAMQJWJSZ-VKROHFNGSA-N 		Solasodine
(3beta,22alpha,25R)-Spirosol-5-en-3-ol

seed.compound:cpd07708
seedM:cpd07708
KWVISVAMQJWJSZ-VKROHFNGSA-O 		Solasodine
dehydrotomatidine
purapuridine
solancarpidine
solasod-5-en-3beta-ol
solasodin
solasodine
spirosol-5-en-3-ol, (3beta,22alpha,25R)-
tomatidenol

CHEBI:9190
chebi:9190
KWVISVAMQJWJSZ-VKROHFNGSA-N 		solasodine
(25R)-22alpha-spirosol-5-en-3beta-ol
(2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-2-ol
(3beta,22alpha,25R)-spirosol-5-en-3-ol
purapuridine
solasod-5-en-3beta-ol
spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine]

chebi:95154
keggC:M_C10822
seedM:M_cpd07708 		secondary/obsolete/fantasy identifier