(Q105215102)

English

(2R,3R,4S,5S,6R)-2-{[(1R,4aR,5S,8S,8aR)-8-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[5-[4-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

630.361527168 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5R,6R)-2-{[(1R,4aR,5S,8S,8aR)-8-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₄O₁₂

0 references

canonical SMILES

OCC1OC(OCC2(C)CCCC3(C)C(C(=C)CC(O)C23)CCC(=CCOC4OC(C)C(O)C(O)C4O)C)C(O)C(O)C1O

0 references

isomeric SMILES

C=C1C[C@H](O)[C@H]2[C@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

0 references

found in taxon

Mitraria coccinea

1 reference

stated in

Mitrariosides, Five Bitter Labdane Glycosides fromMitraria coccinea (Gesneriaceae)

Identifiers

InChI

InChI=1S/C32H54O12/c1-16(9-12-41-29-26(39)24(37)22(35)18(3)43-29)7-8-19-17(2)13-20(34)28-31(4,10-6-11-32(19,28)5)15-42-30-27(40)25(38)23(36)21(14-33)44-30/h9,18-30,33-40H,2,6-8,10-15H2,1,3-5H3/b16-9+/t18-,19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+/m0/s1

0 references

InChIKey

PUHVSLQDLDYLBX-PLNJCKJKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUHVSLQDLDYLBX-PLNJCKJKSA-N

(Q105215102)

(2R,3R,4S,5S,6R)-2-{[(1R,4aR,5S,8S,8aR)-8-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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