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Substance Name: Spiraline
RN: 77156-25-3
UNII: E19XR233QA
InChIKey: SHUMEODPCRJUBC-JLWRCLLRSA-N

Molecular Formula

  • C22-H33-N-O9

Molecular Weight

  • 455.5007
 
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Names and Synonyms

Name of Substance

  • Spiraline

Synonym

  • UNII-E19XR233QA

Systematic Name

  • 7H-(1,5,10)Trioxacyclotetradecino(7,8,9-gh)pyrrolizine-2,5,9(8H)-trione,3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-7-methyl-3,8-bis(1-methylethyl)-, (16aR,16bR)-

Registry Numbers

CAS Registry Number

  • 77156-25-3

FDA UNII

  • E19XR233QA

System Generated Number

  • 0077156253

Structure Descriptors

InChI

1S/C22H33NO9/c1-11(2)21(28)13(5)31-18(25)17(24)22(29,12(3)4)20(27)32-15-7-9-23-8-6-14(16(15)23)10-30-19(21)26/h6,11-13,15-17,24,28-29H,7-10H2,1-5H3/t13-,15-,16-,17+,21+,22-/m1/s1

InChIKey

SHUMEODPCRJUBC-JLWRCLLRSA-N

Smiles

C[C@@H]1[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@]([C@H](C(=O)O1)O)(C(C)C)O)(C(C)C)O