(Q105338302)

English

(2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,Z)-10-hydroxy-6a-(4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl)-2,6b,9,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

618.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl]-2,6b,9,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₆

0 references

canonical SMILES

O=C(O)C12CCC(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CC(=O)C=CC6=CC=C(O)C(OC)=C6)CC1

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isomeric SMILES

COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O

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found in taxon

Uncaria rhynchophylla

1 reference

stated in

Inhibition of phospholipase cgamma1 and cancer cell proliferation by triterpene esters from Uncaria rhynchophylla

Identifiers

InChI

InChI=1S/C39H54O6/c1-24-13-18-38(34(43)44)19-20-39(23-26(40)9-7-25-8-11-29(41)30(22-25)45-6)27(28(38)21-24)10-12-32-36(4)16-15-33(42)35(2,3)31(36)14-17-37(32,39)5/h7-11,22,24,28,31-33,41-42H,12-21,23H2,1-6H3,(H,43,44)/b9-7-/t24-,28+,31+,32-,33+,36+,37-,38+,39+/m1/s1

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InChIKey

XPFZMNVQNXAVPE-SLRGQNDKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XPFZMNVQNXAVPE-SLRGQNDKSA-N

1 reference

(Q105338302)

(2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,Z)-10-hydroxy-6a-(4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl)-2,6b,9,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

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Identifiers

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