(Q105270571)

English

[(3R,4aR,6aR,6bS,8aS,11S,12R,12aS,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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1 reference

[(3S,6aR,8aR,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-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,4aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,4aR,6aR,6bR,8aR,11S,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

Peruvianursenyl acetate C

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

[(3R,4aS,6aR,6bS,8aR,11R,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

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

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found in taxon

Pleocarphus revolutus

1 reference

stated in

New sesquiterpenes from Pleocarphus revolutus

Identifiers

InChI

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24-,25+,26+,27+,29-,30+,31+,32+/m0/s1

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InChIKey

UDXDFWBZZQHDRO-JHVIPJFDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105270571)

[(3R,4aR,6aR,6bS,8aS,11S,12R,12aS,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

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