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Substance Name: Dihydrobetulinic acid
RN: 25488-53-3
InChIKey: PZXJOHSZQAEJFE-FZFNOLFKSA-N

Molecular Formula

  • C30-H50-O3

Molecular Weight

  • 458.722
 
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Names and Synonyms

Name of Substance

  • Dihydrobetulinic acid

Synonym

  • (3beta)-3-Hydroxylupan-28-oic acid

Systematic Name

  • Lupan-28-oic acid, 3-hydroxy-, (3beta)-

Registry Numbers

CAS Registry Number

  • 25488-53-3

System Generated Number

  • 0025488533

Structure Descriptors

InChI

1S/C30H50O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

InChIKey

PZXJOHSZQAEJFE-FZFNOLFKSA-N

Smiles

C1[C@@]2([C@@H]3[C@@](CC[C@H]2C(C)(C)[C@H](C1)O)([C@@]1([C@H](CC3)[C@@H]2[C@@](CC[C@H]2C(C)C)(C(O)=O)CC1)C)C)C