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Substance Name: Spiranine
RN: 77156-23-1
UNII: 4758ROY4TY
InChIKey: LYCHAEUHBIADIF-YTOCNCTHSA-N

Molecular Formula

  • C23-H35-N-O9

Molecular Weight

  • 469.527
 
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Names and Synonyms

Name of Substance

  • Spiranine

Synonym

  • UNII-4758ROY4TY

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-8-(1-methylethyl)-3-(1-methylpropyl)-, (16aR,16bR)-

Registry Numbers

CAS Registry Number

  • 77156-23-1

FDA UNII

  • 4758ROY4TY

System Generated Number

  • 0077156231

Structure Descriptors

InChI

1S/C23H35NO9/c1-6-13(4)23(30)18(25)19(26)32-14(5)22(29,12(2)3)20(27)31-11-15-7-9-24-10-8-16(17(15)24)33-21(23)28/h7,12-14,16-18,25,29-30H,6,8-11H2,1-5H3/t13?,14?,16-,17-,18?,22?,23?/m1/s1

InChIKey

LYCHAEUHBIADIF-YTOCNCTHSA-N

Smiles

C1[C@H]2OC([C@@]([C@@H](CC)C)([C@@H](C(O[C@@H]([C@@](C(OCC=3[C@H]2[N@@](CC3)C1)=O)(C(C)C)O)C)=O)O)O)=O