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Substance Name: Crassicausine
RN: 109305-85-3
InChIKey: AFRMHVZQQVWATN-UHFFFAOYSA-N

Molecular Formula

  • C34-H49-N-O9

Molecular Weight

  • 615.759
 
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Names and Synonyms

  • Crassicausine

Registry Numbers

CAS Registry Number

  • 109305-85-3

System Generated Number

  • 0109305853

Structure Descriptors

InChI

1S/C34H49NO9/c1-8-35-17-31(18-38-2)14-13-22(40-4)34-21-15-32(37)23(41-5)16-33(43-7,25(28(34)35)26(42-6)27(31)34)24(21)29(32)44-30(36)19-9-11-20(39-3)12-10-19/h9-12,21-29,37H,8,13-18H2,1-7H3

InChIKey

AFRMHVZQQVWATN-UHFFFAOYSA-N

Smiles

c1(OC)ccc(C(O[C@@H]2[C@@H]3[C@@H]4[C@@]56[C@@H]7[C@@H]([C@@]3(OC)C[C@@H](OC)[C@@]2(C4)O)[C@@H]([C@@H]5[C@@](C[N@@]7CC)(COC)CC[C@@H]6OC)OC)=O)cc1