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Substance Name: Pomolic acid
RN: 13849-91-7
UNII: 60HAB1ZK1T
InChIKey: ZZTYPLSBNNGEIS-OPAXANQDSA-N

Note

  • From Rosa woodsii & Hyptis capitata.

Molecular Formula

  • C30-H48-O4

Molecular Weight

  • 472.7052
 
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Names and Synonyms

Name of Substance

  • Pomolic acid

Synonym

  • UNII-60HAB1ZK1T

Systematic Name

  • Urs-12-en-28-oic acid, 3,19-dihydroxy-, (3beta)-

Registry Numbers

CAS Registry Number

  • 13849-91-7

FDA UNII

  • 60HAB1ZK1T

System Generated Number

  • 0013849917

Structure Descriptors

InChI

1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1

InChIKey

ZZTYPLSBNNGEIS-OPAXANQDSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O