(Q105215474)

English

(2R,3S)-2-[(14R)-14-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

group of stereoisomers with the chemical formula C₃₃H₅₆O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

692.361921092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₆O₁₅

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canonical SMILES

O=C(O)C1C(=C)C(=O)OC1CCCCCCCCCCCCCC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C

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isomeric SMILES

C=C1C(=O)O[C@H](CCCCCCCCCCCCC[C@@H](C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)[C@H]1C(=O)O

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found in taxon

Pleopsidium gobiense

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stated in

Further glucosides of lichens' acids from Central Asian lichens

Identifiers

InChI

InChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)45-20)44-33-28(40)29(25(37)22(17-35)47-33)48-32-27(39)26(38)24(36)21(16-34)46-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m1/s1

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InChIKey

PVJVSOGTINBGHH-KSLQQTIASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PVJVSOGTINBGHH-KSLQQTIASA-N

ChEBI ID

208088

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)45-20)44-33-28(40)29(25(37)22(17-35)47-33)48-32-27(39)26(38)24(36)21(16-34)46-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m1/s1

1 reference

Natural Product Atlas ID

NPA018115

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PVJVSOGTINBGHH-KSLQQTIASA-N

(Q105215474)

(2R,3S)-2-[(14R)-14-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

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Identifiers

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