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[(Science: chemistry) An alkaloid produced by the decomposition of solanine, as a white crystalline substance having a harsh bitter taste. See: solanine.
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pre_formula( "InChI=1/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1", "jqp073/65727.html" ); ?>
Molecular Formula:
C27H43NO
InChI: InChI=1/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKey: InChIKey=JVKYZPBMZPJNAJ-OQFNDJACBI
SMILES: [H][C@]12CC[C@H](C)CN1[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C
CAS number 80-78-4
Names:
NCI60_041673
Solanidine
solanidine
solanid-5-en-3β-ol
(3β)-solanid-5-en-3-ol
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Registries:
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PubChem CID 65727
Beilstein =45370
CAS 80-78-4 (from NIST)
ChEBI 28374
Kegg C06543
PubChem ID 11446025
PubChem ID 8773
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