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solasodine

MNXM737801 is deprecated and here replaced by MNXM1108323
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108323

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₇H₄₄NO₂

charge

mass

414.33666

reference

chebi:145043

InChIKey

KWVISVAMQJWJSZ-VKROHFNGSA-O

InChI

InChI=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

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145043 chebi:145043	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 kegg.compound:C10822 keggC:C10822	Solasodine
seed.compound:cpd07708 seedM:cpd07708	Solasodine dehydrotomatidine purapuridine solancarpidine solasod-5-en-3beta-ol solasodin solasodine spirosol-5-en-3-ol, (3beta,22alpha,25R)- tomatidenol
CHEBI:9190 chebi:9190	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