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Substance Name: Methyl helicterate
RN: 102637-02-5
InChIKey: MYBPKOKJNVOFNJ-GTKYOZKMSA-N

Note

  • Isolated from roots of Helicteres angustifolia L.

Molecular Formula

  • C40-H56-O6

Molecular Weight

  • 632.876
 
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Names and Synonyms

Name of Substance

  • Methyl helicterate

Systematic Name

  • Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 102637-02-5

System Generated Number

  • 0102637025

Structure Descriptors

InChI

1S/C40H56O6/c1-25(2)28-16-21-39(35(43)44-8)22-23-40(24-45-34(42)27-12-10-9-11-13-27)29(33(28)39)14-15-31-37(6)19-18-32(46-26(3)41)36(4,5)30(37)17-20-38(31,40)7/h9-13,28-33H,1,14-24H2,2-8H3/t28-,29+,30-,31+,32-,33-,37-,38+,39-,40-/m0/s1

InChIKey

MYBPKOKJNVOFNJ-GTKYOZKMSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@@]4([C@H](CC[C@H]3[C@@]2(C)C1)[C@H]1[C@@](C(=O)OC)(CC4)CC[C@H]1C(=C)C)COC(c1ccccc1)=O)OC(C)=O