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Substance Name: Cynanester A
RN: 143502-52-7
InChIKey: RDMVPOZYOLCBLH-VQFBUESHSA-N

Note

  • From Cynanchum chinense R. Br.

Molecular Weight

  • 524.868
 
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Names and Synonyms

Name of Substance

  • Cynanester A

Systematic Name

  • Lup-20(29)-en-3-ol, hexanoate, (3beta)-

Registry Numbers

CAS Registry Number

  • 143502-52-7

System Generated Number

  • 0143502527

Structure Descriptors

InChI

1S/C36H60O2/c1-10-11-12-13-30(37)38-29-18-20-34(7)27(32(29,4)5)17-21-36(9)28(34)15-14-26-31-25(24(2)3)16-19-33(31,6)22-23-35(26,36)8/h25-29,31H,2,10-23H2,1,3-9H3/t25-,26+,27-,28+,29-,31+,33+,34-,35+,36+/m0/s1

InChIKey

RDMVPOZYOLCBLH-VQFBUESHSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@H](C(=C)C)[C@H]5[C@H]4CC[C@H]3[C@@]2(C1)C)OC(CCCCC)=O