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Substance Name: Geyerline
RN: 213697-78-0
InChIKey: JBEXWLNBXSCEPW-RNNMQTRDSA-N

Molecular Formula

  • C38-H50-N2-O11

Molecular Weight

  • 710.816
 
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Names and Synonyms

Results Name

  • Geyerline

Synonym

  • Geyerline

Systematic Name

  • Aconitane-7,8,16-triol, 20-ethyl-1,6,14-trimethoxy-4-(((2-((3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-, 16-acetate, (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 213697-78-0

System Generated Number

  • 0213697780

Structure Descriptors

InChI

1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(47-4)37-23-15-22-25(51-20(3)41)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38+/m0/s1

InChIKey

JBEXWLNBXSCEPW-RNNMQTRDSA-N

Smiles

CCN1C[C@]2(COC(=O)c3ccccc3N4C(=O)C[C@H](C)C4=O)CC[C@H](OC)[C@@]56[C@@H]7C[C@@H]8[C@H](C[C@@](O)([C@H]7[C@H]8OC)[C@@](O)([C@@H](OC)[C@H]25)C16)OC(=O)C