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Substance Name: Urcin
RN: 64115-78-2
InChIKey: GTSCNSPEVATRDO-QRDUKVGOSA-N

Note

  • Different from ursin syn ARBUTIN.

Molecular Weight

  • 913.412
 
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Names and Synonyms

Name of Substance

  • Urcin

Systematic Name

  • Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-, mixt. with (3beta)-3-hydroxyurs-12-en-28-oic acid

Registry Numbers

CAS Registry Number

  • 64115-78-2

System Generated Number

  • 0064115782

Structure Descriptors

InChI

1S/2C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7;1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33);8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24-,27+,28-,29-,30+;20-,21?,22-,23+,27+,28-,29-,30+/m11/s1

InChIKey

GTSCNSPEVATRDO-QRDUKVGOSA-N

Smiles

C1[C@H](O)C(C)(C)[C@@H]2[C@@]([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@@]4([C@@]3(CC2)C)C)C(=O)O)C)C)(C1)C.C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O