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Substance Name: Discarine C
RN: 88607-21-0
InChIKey: ZKTFRIXUYOZICW-SPZUWTHGSA-N

Note

  • From Discaria febrifuga.

Molecular Formula

  • C31-H42-N4-O4

Molecular Weight

  • 534.6968
 
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Names and Synonyms

Results Name

  • Discarine C

Synonym

  • Discarine C

Systematic Name

  • Pentanamide, 2-(dimethylamino)-4-methyl-N-(7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-

Registry Numbers

CAS Registry Number

  • 88607-21-0

System Generated Number

  • 0088607210

Structure Descriptors

InChI

1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(23-10-8-7-9-11-23)27(31(38)33-25)34-30(37)26(35(5)6)19-21(3)4/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26-,27-,28-/m0/s1

InChIKey

ZKTFRIXUYOZICW-SPZUWTHGSA-N

Smiles

CC(C)C[C@H](N(C)C)C(=O)N[C@H]1[C@@H](Oc2ccc(\C=C/NC(=O)[C@H](CC(C)C)NC1=O)cc2)c3ccccc3