(Q105282468)

English

(2R,4aS,6aR,6aS,8S,14aS,14bR)-10,11-dihydroxy-8-[(1S)-1-hydroxyethyl]-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2S,4aR,6aS,6aR,8R,14aR,14bS)-10,11-dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

10,11-dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

1 reference

1 reference

496.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4aS,6aR,6aS,8R,14aS,14bR)-10,11-dihydroxy-8-[(1S)-1-hydroxyethyl]-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₄O₅

0 references

canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C4=CC(C5=C(C(O)=C(O)C=C5C4(C)CCC3(C)C2C1)C)C(O)C)C

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isomeric SMILES

Cc1c(O)c(O)cc2c1[C@@H]([C@H](C)O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Immunosuppressive terpenoids from extracts of Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18-,19+,23+,27+,28+,29-,30+,31-/m0/s1

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InChIKey

UZTWKCSXTUDYPH-KNYNWVJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UZTWKCSXTUDYPH-KNYNWVJLSA-N

1 reference

(Q105282468)

(2R,4aS,6aR,6aS,8S,14aS,14bR)-10,11-dihydroxy-8-[(1S)-1-hydroxyethyl]-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

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