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Substance Name: Aborenone
RN: 25465-81-0
InChIKey: AVHGSHJBWASVAK-TUGTUXFRSA-N

Molecular Formula

  • C30-H48-O

Molecular Weight

  • 424.7082
 
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Names and Synonyms

  • Aborenone

Registry Numbers

CAS Registry Number

  • 25465-81-0

System Generated Number

  • 0025465810

Structure Descriptors

InChI

1S/C30H48O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-24H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,27+,28-,29-,30+/m0/s1

InChIKey

AVHGSHJBWASVAK-TUGTUXFRSA-N

Smiles

C1[C@@]2(C=3[C@@H](CC[C@@H]2C(C(C1)=O)(C)C)[C@@]1(CC[C@@]2([C@@H]([C@@]1(C)CC3)CC[C@@H]2C(C)C)C)C)C