(Q105148868)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

NCGC00385137-01_C36H58O10_Hexopyranose, 1-O-(3,19,23-trihydroxy-28-oxours-12-en-28-yl)-

1 reference

based on heuristic

inferred from SMILES

mass

650.402998056 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta,19,24-Trihydroxyurs-12-ene-28-oic acid beta-D-glucopyranosyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aS,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

1 reference

based on heuristic

inferred from InChI

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

1 reference

1 reference

C₃₆H₅₈O₁₀

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2

0 references

isomeric SMILES

C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O

0 references

found in taxon

Ilex rotunda

1 reference

stated in

The Structure of Rotungenoside, a New Bitter Triterpene Glucoside fromIlex Rotunda

Identifiers

InChI

InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28+,29+,31+,32-,33-,34-,35-,36+/m1/s1

0 references

InChIKey

LARPFJIXBULVPK-CQKOTZCFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LARPFJIXBULVPK-CQKOTZCFSA-N

(Q105148868)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)