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Substance Name: Methyl helicterilate
RN: 102637-01-4
InChIKey: ZPQZGHAQCJAOQE-YHMSRXDCSA-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 helicterilate

Systematic Name

  • Olean-12-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 102637-01-4

System Generated Number

  • 0102637014

Structure Descriptors

InChI

1S/C40H56O6/c1-26(41)46-32-17-18-37(6)30(36(32,4)5)16-19-38(7)31(37)15-14-28-29-24-35(2,3)20-21-39(29,34(43)44-8)22-23-40(28,38)25-45-33(42)27-12-10-9-11-13-27/h9-14,29-32H,15-25H2,1-8H3/t29-,30-,31+,32-,37-,38+,39-,40-/m0/s1

InChIKey

ZPQZGHAQCJAOQE-YHMSRXDCSA-N

Smiles

C1[C@H](OC(C)=O)C(C)(C)[C@H]2[C@@](C)([C@H]3CC=C4[C@@]([C@]3(C)CC2)(CC[C@@]2(C(=O)OC)[C@H]4CC(CC2)(C)C)COC(c2ccccc2)=O)C1