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Substance Name: 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid
RN: 91452-89-0
InChIKey: RUFQCISHQBMQCR-LFEVKWDJSA-N

Molecular Formula

  • C40-H60-O6

Molecular Weight

  • 636.908
 
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Names and Synonyms

Results Name

  • 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid

Synonym

  • 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid

Systematic Name

  • Olean-12-en-28-oic acid, 21-((3-(4-ethylidenetetrahydro-2-furanyl)-2-methyl-1-oxo-2-propenyl)oxy)-3-hydroxy-, (3beta,21beta)-

Registry Numbers

CAS Registry Number

  • 91452-89-0

System Generated Number

  • 0091452890

Structure Descriptors

InChI

1S/C40H60O6/c1-10-25-20-26(45-23-25)19-24(2)33(42)46-32-22-40(34(43)44)18-17-38(8)27(28(40)21-35(32,3)4)11-12-30-37(7)15-14-31(41)36(5,6)29(37)13-16-39(30,38)9/h10-11,19,26,28-32,41H,12-18,20-23H2,1-9H3,(H,43,44)/b24-19+,25-10-/t26?,28-,29?,30-,31+,32+,37+,38-,39-,40-/m1/s1

InChIKey

RUFQCISHQBMQCR-LFEVKWDJSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)C[C@@H](C(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)OC(\C(=C\[C@@H]1OCC(\C1)=C\C)C)=O)O