Mrv0541 11261411202D          

 26 30  0  0  0  0            999 V2000
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    3.9045   -2.5135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7217   -2.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3259   -5.3687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3259   -3.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0385   -4.1325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0365   -4.9577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1825   -2.9171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3101   -2.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1772   -2.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
  8 17  1  1  0  0  0
  2  1  1  6  0  0  0
 12 18  1  6  0  0  0
  3  2  1  0  0  0  0
  6 19  1  1  0  0  0
  4  5  1  0  0  0  0
  8 12  1  0  0  0  0
 17 21  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  2  0  0  0  0
  6 22  1  0  0  0  0
 15  2  1  0  0  0  0
 11 13  1  0  0  0  0
 13 24  1  1  0  0  0
  2 24  1  0  0  0  0
 12 13  1  0  0  0  0
 15 25  1  6  0  0  0
  4  7  1  0  0  0  0
  9 26  1  1  0  0  0
M  END
> <ID>
CHEBI:66275

> <NAME>
tripterifordin

> <DEFINITION>
A kaurane diterpenoid that is (5β,8α,13α)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV activity.

> <STAR>
3

> <SYNONYM>
Kauran-18-oic acid, 16,20-dihydroxy-, delta-lactone,(4alpha)-; hypodiolide A

> <IUPAC_NAME>
(5beta,8alpha,13alpha)-16-hydroxy-18,20-epoxykauran-18-one

> <FORMULA>
C20H30O3

> <MASS>
318.45040

> <MONOISOTOPIC_MASS>
318.21949

> <CHARGE>
0

> <SMILES>
C[C@]1(O)C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)([C@H]1CC3)C(=O)OC2

> <INCHI>
InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1

> <INCHIKEY>
KLMZPLYXGZZBCX-TYOHIEAGSA-N

> <CAS_REGISTRY_NUMBER>
139122-81-9

> <REAXYS_REGISTRY_NUMBER>
8587307

> <CHEMIDPLUS>
139122-81-9

> <KNAPSACK_ACCESSION>
C00041947

> <PUBMED_CITATION>
10579865; 1602302; 8328267

$$$$