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Substance Name: Ervadivaricatine B
RN: 204581-20-4
InChIKey: YBBXESOBDXAWTH-SORPUKNISA-N

Molecular Formula

  • C43-H54-N4-O5

Molecular Weight

  • 706.923
 
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Names and Synonyms

  • Ervadivaricatine B

Registry Numbers

CAS Registry Number

  • 204581-20-4

System Generated Number

  • 0204581204

Structure Descriptors

InChI

1S/C43H54N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h9-12,17,19,23-25,28,31,35,37,40,44-45H,7-8,13-16,18,20-22H2,1-6H3/t23-,24+,25-,28?,31?,35+,37+,40+,43-/m1/s1

InChIKey

YBBXESOBDXAWTH-SORPUKNISA-N

Smiles

C1[N@@]2[C@@H]3[C@](C[C@H](C[C@@H]3CC)C2)(C(=O)OC)c2[nH]c3c(c2C1)cc(c(c3)[C@@H]1C[C@@H]2[C@@H](C[N@@]([C@H](Cc3c4c([nH]c13)cccc4)[C@H]2C(=O)OC)C)CC)OC