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Substance Name: Urs-12-en-3-ol, 3-hexadecanoate, (3beta)-
RN: 22255-10-3
InChIKey: BHPGRVQWTLDDQX-MYFXNNOVSA-N

Molecular Formula

  • C46-H80-O2

Molecular Weight

  • 665.136
 
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Names and Synonyms

Synonyms

  • alpha-Amyrin palmitate
  • alpha-Amyryl hexadecanoate
  • Urs-12-en-3beta-ol palmitate

Systematic Name

  • Urs-12-en-3-ol, 3-hexadecanoate, (3beta)-

Registry Numbers

CAS Registry Number

  • 22255-10-3

Other Registry Number

  • 290299-11-5

System Generated Number

  • 0022255103

Structure Descriptors

InChI

1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38-,39+,41-,43-,44+,45-,46-/m1/s1

InChIKey

BHPGRVQWTLDDQX-MYFXNNOVSA-N

Smiles

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