(Q105159721)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

10-Hydroxy-1,2,6a,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,4aS,6aS,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O₃

0 references

canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C(CCC5C(C)(C)C(O)CCC45C)C3(C)CC1

0 references

isomeric SMILES

C[C@H]1[C@H](C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12

0 references

found in taxon

Sorbus aucuparia

1 reference

stated in

Ursolic acid from the fruit ofSorbus aucuparia

Identifiers

InChI

InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19+,20-,22-,23-,24-,27+,28-,29-/m1/s1

0 references

InChIKey

LZAGCGQZQCAYEZ-SPLNTBABSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105159721)

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

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