(Q105366756)

English

[(3R,4aR,6aS,6aS,8aS,12aR,14aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(3S,4aR,6aR,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

[(4aS,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(3S,6aR,8aR,12aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4aS,6aR,6aR,8aR,12aS,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-Epitaraxeryl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4aR,6aR,6aR,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(3S,4aR,6aR,6aS,8aR,12aR,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

1 reference

1 reference

[(3S,4aS,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(C)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@]5(C)CCC(C)(C)C[C@H]54)[C@@]3(C)CC[C@H]2C1(C)C

0 references

found in taxon

Euphorbia watanabei

1 reference

stated in

[Constituents of Euphorbia watanabei. 1]

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24-,25+,26+,29+,30+,31+,32+/m0/s1

0 references

InChIKey

YWJGYBXHXATAQY-KXWAXODHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105366756)

[(3R,4aR,6aS,6aS,8aS,12aR,14aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate

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