(Q104923778)

English

(2R,4aS,6aS,12bR,14aS,14bR)-8,9,10-trihydroxy-2,4a,6a,12b,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

chemical compound

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Statements

type of chemical entity

0 references

8,9,10-trihydroxy-2,4a,6a,12b,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

468.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₆

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canonical SMILES

O=C1C=C2C(=C(O)C=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C)C(O)=C1O

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isomeric SMILES

C[C@@]12CC[C@]3(C)C4=CC(O)=C5C(=CC(=O)C(O)=C5O)[C@]4(C)CC[C@@]3(C)[C@@H]1C[C@](C)(C(=O)O)CC2

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Tripterygium wilfordii

1 reference

A new triterpenoid from the roots of Tripterygium wilfordii

Identifiers

InChI=1S/C28H36O6/c1-24-6-7-25(2,23(33)34)14-19(24)28(5)11-9-26(3)15-12-17(30)21(31)22(32)20(15)16(29)13-18(26)27(28,4)10-8-24/h12-13,19,29,31-32H,6-11,14H2,1-5H3,(H,33,34)/t19-,24-,25-,26+,27-,28+/m1/s1

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BDBMWOXJSYMJMF-ARJLCBDESA-N

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