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Substance Name: 3-Hydroxylup-20(29)en-23,28-dioic acid
RN: 132339-62-9
InChIKey: NSLGONDVJPFEEN-YETQQTCNSA-N

Molecular Formula

  • C30-H46-O5

Molecular Weight

  • 486.688
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxylup-20(29)en-23,28-dioic acid

Synonyms

  • 3-Hydroxylup-20(29)-ene-23,28-dioic acid
  • HLEDA

Systematic Name

  • Lup-20(29)-ene-23,28-dioic acid, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 132339-62-9

System Generated Number

  • 0132339629

Structure Descriptors

InChI

1S/C30H46O5/c1-17(2)18-9-14-30(25(34)35)16-15-27(4)19(23(18)30)7-8-20-26(3)12-11-22(31)29(6,24(32)33)21(26)10-13-28(20,27)5/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18-,19+,20+,21+,22?,23+,26+,27+,28+,29?,30-/m0/s1

InChIKey

NSLGONDVJPFEEN-YETQQTCNSA-N

Smiles

C1[C@@H]([C@@]([C@H]2[C@@](C1)(C)[C@@H]1[C@@](CC2)([C@@]2(C)[C@H](CC1)[C@@H]1[C@@](CC[C@H]1C(C)=C)(C(O)=O)CC2)C)(C)C(O)=O)O