(Q105249502)

English

[(1R,3aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-isopropyl-3a,5b,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,6H,7H,7aH,9H,10H,11H,11bH,12H,13H,13bH-cyclopenta[a]chrysen-9-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3aR,5bR,7aS,9S,11aR,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-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)C)C45)C3(C)CCC2C1(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CC[C@H](C(C)C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C

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found in taxon

Clausena dunniana

1 reference

stated in

Dinorditerpene, Diterpenes, Alkaloids, and Coumarins fromClausena dunniana

Lactuca indica

1 reference

stated in

Composite Constituent: Lactucenyl Acetate, a Novel Migrated Lupane Triterpenoid from Lactuca indica Revision of Structure of Tarolupenyl Acetate

Clausena anisata

1 reference

stated in

Dinorditerpene, Diterpenes, Alkaloids, and Coumarins fromClausena dunniana

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)22-10-15-29(6)16-11-25-31(8)17-12-23-28(4,5)26(34-21(3)33)14-19-30(23,7)24(31)13-18-32(25,9)27(22)29/h11,20,22-24,26-27H,10,12-19H2,1-9H3/t22-,23+,24-,26+,27-,29-,30+,31-,32-/m1/s1

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InChIKey

SBKIZMQGLSLFLB-RVBMVSKLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBKIZMQGLSLFLB-RVBMVSKLSA-N

1 reference

(Q105249502)

[(1R,3aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

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Identifiers

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