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Substance Name: Bauerenyl acetate
RN: 17020-04-1
InChIKey: DTHUXXMWYWKQKX-QXZXTIJDSA-N

Molecular Weight

  • 468.761
 
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Names and Synonyms

Results Name

  • Bauerenyl acetate

Synonym

  • Bauerenyl acetate

Systematic Name

  • 26-Norurs-7-en-3-ol, 13-methyl-, 3-acetate, (3b,13a,14b)-

Registry Numbers

CAS Registry Number

  • 17020-04-1

System Generated Number

  • 0017020041

Structure Descriptors

InChI

1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,23+,25+,26+,27-,29-,30-,31-,32+/m1/s1

InChIKey

DTHUXXMWYWKQKX-QXZXTIJDSA-N

Smiles

C[C@@]12CC[C@]3(C)C4=CC[C@H]5C(C)([C@@H](OC(C)=O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]([C@@H](CC2)C)C)C