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Substance Name: Neogermbudine
RN: 595-64-2
InChIKey: LWSPRPDSPCBAKK-KFQWNRGESA-N

Note

  • From Veratrum nigrum.

Molecular Formula

  • C37-H59-N-O12

Molecular Weight

  • 709.8681
 
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Names and Synonyms

Name of Substance

  • Neogermbudine

Systematic Name

  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3-(2,3-dihydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(2S,3R),4alpha,7alpha,15alpha(R),16beta)-

Registry Numbers

CAS Registry Number

  • 595-64-2

System Generated Number

  • 0000595642

Structure Descriptors

InChI

1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23?,24-,25-,26+,27+,28+,29-,32-,33-,34+,35?,36?,37-/m0/s1

InChIKey

LWSPRPDSPCBAKK-KFQWNRGESA-N

Smiles

CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)([C@@H](C)O)O)O)C)O)O)O