(Q105133324)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₉H₆₂O₁₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

738.419042044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₂O₁₃

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canonical SMILES

OCC1OC(OCC2OC(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C4(C)CC3)C(O)C(O)C2O)C(O)C(O)C1O

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isomeric SMILES

CC1CCC2(OC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C

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found in taxon

Tribulus terrestris

1 reference

stated in

A sulfated glycoside from the preparation “tribestan”

Identifiers

InChI

InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18?,19?,21-,22?,23?,24?,25?,26+,27+,28?,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39?/m0/s1

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InChIKey

JPULJZKBLHBIRV-BNDGPRLCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPULJZKBLHBIRV-BNDGPRLCSA-N

1 reference

(Q105133324)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

Statements

Identifiers

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