(Q105256277)

English

(1R,2S,5R,7R,8S,9S,10S,11S,12R,13S)-12-methyl-6-methylidene-12-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

12-Methyl-6-methylidene-12-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol

1 reference

based on heuristic

inferred from SMILES

mass

528.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₁₁

0 references

canonical SMILES

OCC1OC(OCC2(C)C(O)CCC34COC(O)(C(O)C23)C56CC(C(=C)C5O)CCC46)C(O)C(O)C1O

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isomeric SMILES

C=C1[C@@H]2CC[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32CC[C@H](O)[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2[C@@H]1O

0 references

found in taxon

Isodon eriocalyx

2 references

stated in

Flavonoids from Isodon oresbius

stated in

Diterpene and diterpene glycosides from Rabdosia eriocalyx

Identifiers

InChI

InChI=1S/C26H40O11/c1-11-12-3-4-14-24-6-5-15(28)23(2,9-35-22-18(31)17(30)16(29)13(8-27)37-22)19(24)21(33)26(34,36-10-24)25(14,7-12)20(11)32/h12-22,27-34H,1,3-10H2,2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1

0 references

InChIKey

SNAKWWAXLVYXOB-RPILJULKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105256277)

(1R,2S,5R,7R,8S,9S,10S,11S,12R,13S)-12-methyl-6-methylidene-12-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol

Statements

Identifiers

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