(Q110174636)

English

[(3S,4aR,6aS,6aR,6bR,8aS,10R,14aR,14bR)-10-acetyloxy-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

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)C2CCC4C5=CC(C)(C)C(OC(=O)C)CC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

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

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found in taxon

Celastraceae

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stated in

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

Identifiers

InChI

InChI=1S/C34H54O4/c1-21(35)37-27-14-15-32(8)25(30(27,5)6)13-16-34(10)26(32)12-11-23-24-19-29(3,4)28(38-22(2)36)20-31(24,7)17-18-33(23,34)9/h19,23,25-28H,11-18,20H2,1-10H3/t23-,25+,26-,27+,28-,31+,32+,33-,34-/m1/s1

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InChIKey

KCZYCXIBYIWJGG-XYDZDXKDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCZYCXIBYIWJGG-XYDZDXKDSA-N

1 reference

(Q110174636)

[(3S,4aR,6aS,6aR,6bR,8aS,10R,14aR,14bR)-10-acetyloxy-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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