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Substance Name: Ursa-12-ene-28-oic acid 3-propanedioic acid monoester
RN: 143070-05-7
InChIKey: BXCDNFMSWNBZGR-USTJOKCASA-N

Note

  • Isolated from Cynomorium songaricum.

Molecular Weight

  • 542.752
 
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Names and Synonyms

Name of Substance

  • Ursa-12-ene-28-oic acid 3-propanedioic acid monoester

Synonym

  • Ursaoic diprop monoester

Registry Numbers

CAS Registry Number

  • 143070-05-7

System Generated Number

  • 0143070057

Structure Descriptors

InChI

1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22?,23-,24+,27-,30+,31-,32-,33+/m1/s1

InChIKey

BXCDNFMSWNBZGR-USTJOKCASA-N

Smiles

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