(Q110197794)

English

6-[6-Carboxy-2-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₂O₁₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

822.403785904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₂O₁₆

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canonical SMILES

O=CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3OC4OC(C(=O)O)C(O)C(O)C4O)C(C)(C)C2CCC5(C)C1CC=C6C7CC(C(=O)O)(C)CCC7(C)CCC65C

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found in taxon

Periandra mediterranea

1 reference

stated in

Periandrin II and IV, triterpene glycosides from Periandra dulcis

Identifiers

InChI

InChI=1S/C42H62O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,18,20-31,34-35,44-48H,8-17H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)

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InChIKey

LPJAUAFOONIRJB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LPJAUAFOONIRJB-UHFFFAOYSA-N

(Q110197794)

6-[6-Carboxy-2-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

Identifiers

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