(Q110180438)

English

[(3S,4aR,5R,6aS,6aR,6bR,8aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₃

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5=CC(C)(C)CCC5(C)CCC4(C)C3(C)CC(O)C2C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Celastraceae

1 reference

stated in

Olean-18-ene triterpenoids from Celastraceae species inhibit HIV replication targeting NF-kB and Sp1 dependent transcription.

Identifiers

InChI

InChI=1S/C32H52O3/c1-20(33)35-25-12-13-30(7)24-11-10-21-22-18-27(2,3)14-15-29(22,6)16-17-31(21,8)32(24,9)19-23(34)26(30)28(25,4)5/h18,21,23-26,34H,10-17,19H2,1-9H3/t21-,23-,24-,25+,26+,29-,30-,31-,32-/m1/s1

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InChIKey

AREVFNRRRYVDPO-WKLSDETGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AREVFNRRRYVDPO-WKLSDETGSA-N

1 reference

(Q110180438)

[(3S,4aR,5R,6aS,6aR,6bR,8aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] acetate

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Identifiers

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