(Q105344566)

English

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

group of stereoisomers with the chemical formula C₃₄H₅₄O₄

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)C(OC(=O)C)CC43C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@]2(C)C(=CCC3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)C4CC[C@]32C)C2CC(C)(C)CC[C@@]21C

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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/C34H54O4/c1-21(35)37-27-14-15-32(8)25(30(27,5)6)13-16-33(9)26(32)12-11-23-24-19-29(3,4)17-18-31(24,7)28(38-22(2)36)20-34(23,33)10/h11,24-28H,12-20H2,1-10H3/t24?,25?,26?,27-,28+,31+,32+,33-,34-/m1/s1

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InChIKey

XYMUPRFFHNVZAF-VILPKJOISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYMUPRFFHNVZAF-VILPKJOISA-N

(Q105344566)

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

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Identifiers

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