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Substance Name: 3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid
RN: 109237-05-0
InChIKey: VXDVEQQZHDXFGF-AQAAQUNPSA-N

Molecular Weight

  • 648.875
 
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Names and Synonyms

Results Name

  • 3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid

Synonym

  • 3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid

Systematic Name

  • Urs-12-en-28-oic acid, 3-hydroxy-23-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (3b,4b(E))-

Registry Numbers

CAS Registry Number

  • 109237-05-0

System Generated Number

  • 0109237050

Structure Descriptors

InChI

1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30-,31-,32+,34+,36+,37-,38-,39-,40+/m1/s1

InChIKey

VXDVEQQZHDXFGF-AQAAQUNPSA-N

Smiles

C1[C@H]([C@@H]([C@H]2C3=CC[C@H]4[C@@]([C@]3(C)CC[C@@]2(C1)C(O)=O)(CC[C@@H]1[C@@]4(CC[C@@H]([C@@]1(COC(\C=C\c1ccc(c(c1)OC)O)=O)C)O)C)C)C)C