(Q110177381)

English

[(2R,4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picen-2-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

482.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₃

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canonical SMILES

O=C(OCC1(C=C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1)C)C

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isomeric SMILES

CC(=O)OC[C@@]1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1

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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/C32H50O3/c1-21(33)35-20-28(4)15-16-29(5)17-18-31(7)22(23(29)19-28)9-10-25-30(6)13-12-26(34)27(2,3)24(30)11-14-32(25,31)8/h19,22,24-25H,9-18,20H2,1-8H3/t22-,24+,25-,28-,29-,30+,31-,32-/m1/s1

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InChIKey

UCBUIQWUUCGLPW-IQBPSNJQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCBUIQWUUCGLPW-IQBPSNJQSA-N

1 reference

(Q110177381)

[(2R,4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picen-2-yl]methyl acetate

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Identifiers

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