(Q105009506)

English

[(3S,6aR,6bS,8aR,11R,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] 2-phenylacetate

group of stereoisomers with the chemical formula C₃₈H₅₆O₂

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

544.428031032 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₆O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C)CC=6C=CC=CC6

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isomeric SMILES

C[C@@H]1C2C3=CCC4[C@@]5(C)CC[C@H](OC(=O)Cc6ccccc6)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C

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found in taxon

Trattinnickia burserifolia

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stated in

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

Identifiers

InChI

InChI=1S/C38H56O2/c1-25-16-19-35(5)22-23-37(7)28(33(35)26(25)2)14-15-30-36(6)20-18-31(34(3,4)29(36)17-21-38(30,37)8)40-32(39)24-27-12-10-9-11-13-27/h9-14,25-26,29-31,33H,15-24H2,1-8H3/t25-,26+,29?,30?,31+,33?,35-,36+,37-,38-/m1/s1

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InChIKey

GJPKTQOFZAVPOY-KBSTWQTDSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105009506)

[(3S,6aR,6bS,8aR,11R,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] 2-phenylacetate

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Identifiers

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