(Q105237263)

English

(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Oleanolic acid acetate

1 reference

based on heuristic

inferred from SMILES

(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

10-Acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

1 reference

(4aS,6aS,6bR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

498.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aS,6aR,6aR,6bS,8aR,10S,12aS,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(4aS,6aS,6bR,8aS,10S,12aR,12bS,14bR)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

Oleanolic acid 3-acetate

1 reference

based on heuristic

inferred from InChI

(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₀O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

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found in taxon

Dalbergia latifolia

1 reference

stated in

Chemical examination of the bark and sapwood of Dalbergia latifolia

Diospyros chloroxylon

1 reference

stated in

Chemical constituents of Diospyros buxifolia, D. tomentosa, D. ferra, D. lotus, Rhus parviflora, Polygonum recumbens, Balanites aegyptiaca and Pyrus pashia

Machaerium incorruptibile

1 reference

stated in

Triterpenoids isolated from Machaerium incorruptibile

Identifiers

InChI

InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24-,25-,29-,30+,31+,32-/m0/s1

0 references

InChIKey

RIXNFYQZWDGQAE-WQMJSYKYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105237263)

(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

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