(Q82903880)

English

6-[(14b-Formyl-9-hydroxy-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

oleanane triterpenoid

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mass

940.503165592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₆O₁₈

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canonical SMILES

O=CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)C(C)(C)C2CCC6(C)C1CC=C7C8CC(C)(C)CC(O)C8(C)CCC76C

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found in taxon

Periandra mediterranea

1 reference

stated in

Periandradulcins A, B and C: phosphodiesterase inhibitors from Periandra dulcis Mart

Identifiers

InChI

InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-14-48(20-50)25(44(28,4)5)11-13-47(8)26(48)10-9-22-23-17-43(2,3)18-27(51)45(23,6)15-16-46(22,47)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)

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InChIKey

DASNBFUNOLNZDD-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DASNBFUNOLNZDD-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DASNBFUNOLNZDD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID101357803

0 references

(Q82903880)

6-[(14b-Formyl-9-hydroxy-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

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Identifiers

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