(Q105340702)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

488.350174636 dalton

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1 reference

3beta,6beta,23-trihydroxyolean-12-en-28-oic acid

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₅

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)CC4(C)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1

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found in taxon

Caroxylon imbricatum

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stated in

Structural determination of salsolins A and B, new antioxidant polyoxygenated triterpenes from Salsola baryosma, by 1D and 2D NMR spectroscopy

Salsola baryosma

1 reference

stated in

Structural determination of salsolins A and B, new antioxidant polyoxygenated triterpenes from Salsola baryosma, by 1D and 2D NMR spectroscopy

Identifiers

InChI

InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28+,29+,30-/m0/s1

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InChIKey

XRRLUGUSXUFEDF-CRGBGRRFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRRLUGUSXUFEDF-CRGBGRRFSA-N

1 reference

(Q105340702)

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

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Identifiers

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