(Q105285575)

English

[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl hexadecanoate

1 reference

based on heuristic

inferred from SMILES

beta-Amyrin palmitate

1 reference

based on heuristic

inferred from SMILES

mass

664.6158318 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

beta-Amyrin palmitate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4aS,6aR,6bS,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4aR,6aR,6bS,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₈₀O₂

0 references

canonical SMILES

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

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Haloxylon salicornicum

1 reference

stated in

In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum

Identifiers

InChI

InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37+,38-,39+,43-,44+,45-,46-/m1/s1

0 references

InChIKey

VFSRKCNYYCXRGI-AQLGBOJESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105285575)

[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate

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