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Substance Name: Betulin diacetate
RN: 1721-69-3
UNII: U2YW502S1Q
InChIKey: MIROITGPMGDCGI-MQXQNARFSA-N

Molecular Formula

  • C34-H54-O4

Molecular Weight

  • 526.7966
 
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Names and Synonyms

Name of Substance

  • Betulin diacetate

Synonyms

  • EINECS 217-015-5
  • UNII-U2YW502S1Q

Systematic Name

  • Lup-20(29)-ene-3,28-diol, diacetate, (3beta)-

Registry Numbers

CAS Registry Number

  • 1721-69-3

FDA UNII

  • U2YW502S1Q

System Generated Number

  • 0001721693

Structure Descriptors

InChI

1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1

InChIKey

MIROITGPMGDCGI-MQXQNARFSA-N

Smiles

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