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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > 3-r,s-hydroxytabernaelegantine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > 3-r,s-hydroxytabernaelegantine a

Preferred term

3-r,s-hydroxytabernaelegantine a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C43H54N4O6

inchi

  • InChI=1S/C43H54N4O6/c1-7-24-15-23-19-42(41(49)53-6)37-27(13-14-47(21-23)39(24)42)28-16-31(35(51-4)18-33(28)45-37)43(50)20-30-25(8-2)22-46(3)34(36(30)40(48)52-5)17-29-26-11-9-10-12-32(26)44-38(29)43/h9-12,16,18,23-25,30,34,36,39,44-45,50H,7-8,13-15,17,19-22H2,1-6H3/t23-,24-,25-,30+,34+,36?,39-,42+,43+/m1/s1

inchikey

  • WSXQQVWDFOHOIB-DKQJEFSASA-N

mass

  • 722.914

monoisotopicmass

  • 722.40434

smiles

  • CC[C@@]1(C[C@@]2(C[C@@]3(C4=C(CCN(C2)[C@]13[H])C5=CC(=C(C=C5N4)OC)[C@]6(C[C@]7([C@H](CC)CN(C)[C@@](CC=8C9=CC=CC=C9NC86)(C7C(=O)OC)[H])[H])O)C(=O)OC)[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141874

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