(Q105303772)

English

(1R,4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-Hydroxy-1,6a,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

590.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₈

0 references

canonical SMILES

O=C(O)C12CCCC(O)(C)C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@H]3[C@](C(=O)O)(CCC[C@@]3(C)O)CC[C@]21C

0 references

found in taxon

Ilex cornuta

1 reference

stated in

Triterpenoid glycosides from leaves of Ilex cornuta

Identifiers

InChI

InChI=1S/C34H54O8/c1-29(2)21-10-15-32(5)22(30(21,3)14-11-23(29)42-27-25(37)24(36)20(35)18-41-27)9-8-19-26-33(6,40)12-7-13-34(26,28(38)39)17-16-31(19,32)4/h8,20-27,35-37,40H,7,9-18H2,1-6H3,(H,38,39)/t20-,21+,22-,23-,24-,25+,26+,27-,30-,31+,32+,33+,34-/m0/s1

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InChIKey

WFDGBBHAJUVQKE-LXSFMTSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WFDGBBHAJUVQKE-LXSFMTSSSA-N

(Q105303772)

(1R,4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Statements

Identifiers

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