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Substance Name: Dimethyl ceanothate
RN: 31300-24-0
UNII: U3010YVM0D
InChIKey: OTJNVRIBONQVIF-VSBKJJMFSA-N

Molecular Formula

  • C32-H50-O5

Molecular Weight

  • 514.742
 
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Names and Synonyms

Name of Substance

  • Dimethyl ceanothate

Synonyms

  • A(1),28-dinorlup-20(29)-ene-2,17-dicarboxylic acid, 3-hydroxy-, 2,17-dimethyl ester, (2alpha,3beta)-
  • Ceanothic acid dimethyl ester [MI]
  • Ceanothic acid, dimethyl ester
  • Dimethyl ceanothate
  • Dimethyl emmolate
  • Emmolic acid, dimethyl ester
  • UNII-U3010YVM0D

Registry Numbers

CAS Registry Number

  • 31300-24-0

FDA UNII

  • U3010YVM0D

System Generated Number

  • 0031300240

Structure Descriptors

InChI

1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1

InChIKey

OTJNVRIBONQVIF-VSBKJJMFSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)O)C(=O)OC)C)C)C(=O)OC