(Q105280530)

English

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

group of stereoisomers with the chemical formula C₃₄H₅₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

524.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₄

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canonical SMILES

O=C(OC1CCC2(C3=CC=C4C5C(C)C(C)CCC5(C)C(OC(=O)C)CC4(C)C3(C)CCC2C1(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4C5[C@@H](C)[C@H](C)CC[C@]5(C)[C@@H](OC(C)=O)C[C@@]4(C)[C@]3(C)CCC2C1(C)C

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found in taxon

Trattinnickia burserifolia

1 reference

stated in

Phytochemistry of Trattinnickia burserifolia, T. rhoifolia, and Dacryodes hopkinsii: chemosystematic implications

Identifiers

InChI

InChI=1S/C34H52O4/c1-20-13-16-32(8)28(38-23(4)36)19-34(10)24(29(32)21(20)2)11-12-26-31(7)17-15-27(37-22(3)35)30(5,6)25(31)14-18-33(26,34)9/h11-12,20-21,25,27-29H,13-19H2,1-10H3/t20-,21+,25?,27+,28+,29?,31+,32-,33-,34-/m1/s1

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InChIKey

UWSPZPAUHRUHAW-YKSZGKEWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UWSPZPAUHRUHAW-YKSZGKEWSA-N

(Q105280530)

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

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Identifiers

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