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Substance Name: Myrianthic acid
RN: 89786-84-5
InChIKey: YCOKATFNRPZIIU-MGBZEVKYSA-N

Molecular Formula

  • C30-H48-O6

Molecular Weight

  • 504.7032
 
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Names and Synonyms

Results Name

  • Myrianthic acid

Synonym

  • Myrianthic acid

Systematic Name

  • Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2alpha,3alpha,4alpha)-

Registry Numbers

CAS Registry Number

  • 89786-84-5

Other Registry Number

  • 65669-84-3

System Generated Number

  • 0089786845

Structure Descriptors

InChI

1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1

InChIKey

YCOKATFNRPZIIU-MGBZEVKYSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O