(Q110185416)

English

(4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

520.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₇

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC4(C)C3(C)CC1O

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isomeric SMILES

CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O

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found in taxon

Platycodon grandiflorus

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stated in

Inhibition of inducible nitric oxide synthase and cyclooxygenase II by Platycodon grandiflorum saponins via suppression of nuclear factor-kappaB activation in RAW 264.7 cells.

Platycodon grandiflorum

1 reference

stated in

Inhibition of inducible nitric oxide synthase and cyclooxygenase II by Platycodon grandiflorum saponins via suppression of nuclear factor-kappaB activation in RAW 264.7 cells.

Identifiers

InChI

InChI=1S/C30H48O7/c1-25(2)10-11-30(24(36)37)18(12-25)17-6-7-20-26(3)13-19(33)23(35)29(15-31,16-32)21(26)8-9-27(20,4)28(17,5)14-22(30)34/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19-,20+,21+,22+,23-,26+,27+,28+,30+/m0/s1

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InChIKey

APTNOIWSCDBIAS-PCHRGASXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APTNOIWSCDBIAS-PCHRGASXSA-N

1 reference

0 references

(Q110185416)

(4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

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