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Substance Name: Crassicauline B
RN: 79620-39-6
InChIKey: PVXMEZPXMNKCAW-FMGVCIMESA-N

Molecular Weight

  • 433.545
 
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Names and Synonyms

Results Name

  • Crassicauline B

Synonym

  • Crassicauline B

Systematic Name

  • Hetisan-1,7,13-triol, 13-benzoate, (1beta,7alpha,13S)-

Registry Numbers

CAS Registry Number

  • 79620-39-6

System Generated Number

  • 0079620396

Structure Descriptors

InChI

1S/C27H31NO4/c1-13-11-26-16-10-15(13)20(32-24(31)14-6-4-3-5-7-14)18(26)22-27(16)17(29)8-9-25(2)12-28(22)19(21(25)27)23(26)30/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17+,18+,19+,20?,21+,22?,23+,25-,26?,27?/m0/s1

InChIKey

PVXMEZPXMNKCAW-FMGVCIMESA-N

Smiles

C1C[C@]2(C)[C@@H]3[C@@]4([C@@H]1O)[C@@H]1[C@@H]5[C@@]6([C@@H]([C@H]3[N@@]1C2)O)[C@H]4C[C@H](C(C6)=C)[C@@H]5OC(c1ccccc1)=O