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Substance Name: Pukeensine
RN: 144442-84-2
InChIKey: KVOUULIRGZGBLJ-KKRWWXOISA-N

Note

  • From Aconitum pukeense W.T. Wang.

Molecular Weight

  • 669.001
 
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Names and Synonyms

Name of Substance

  • Pukeensine

Systematic Name

  • 7,20-Cycloatid-16-en-15-ol, 21-(2-((15-deoxy-16,17-dihydro-19,24-cyclo-20,24-secoatisin-17-yl)oxy)ethyl)-

Registry Numbers

CAS Registry Number

  • 144442-84-2

System Generated Number

  • 0144442842

Structure Descriptors

InChI

1S/C44H64N2O3/c1-25-26-7-13-42(37(25)47)30-21-31-39(2)8-4-10-43(31,34(42)18-26)35(30)45(24-39)14-16-48-23-28-22-41-12-6-27(28)19-33(41)44-11-5-9-40(3)32(44)20-29(41)36(44)46-15-17-49-38(40)46/h26-38,47H,1,4-24H2,2-3H3/t26-,27?,28?,29?,30-,31+,32-,33-,34-,35-,36?,37-,38-,39?,40-,41?,42?,43?,44?/m1/s1

InChIKey

KVOUULIRGZGBLJ-KKRWWXOISA-N

Smiles

C1C[C@@]2([C@@H]3[C@@]4(C1)[C@@H]([C@@H](C3)[C@@]13CC[C@@H](C[C@@H]43)[C@@H](C1)COCC[N@@]1C[C@@]3(CCC[C@@]45[C@H]1[C@@H]([C@@]16[C@H]4C[C@@H](C([C@H]1O)=C)CC6)C[C@@H]35)C)[N@@]1CCO[C@@H]21)C