(Q110180278)

English

(4aR,5R,6aS,6aR,6bR,8aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,13,14,14a-dodecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C1CCC2(C)C3CCC4C5=CC(C)(C)CCC5(C)CCC4(C)C3(C)CC(O)C2C1(C)C

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isomeric SMILES

CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[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/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h17,19,21-22,24,31H,9-16,18H2,1-8H3/t19-,21-,22-,24+,27-,28-,29-,30-/m1/s1

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InChIKey

QORYECKXLDDYAN-QQRHIKMLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QORYECKXLDDYAN-QQRHIKMLSA-N

1 reference

(Q110180278)

(4aR,5R,6aS,6aR,6bR,8aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,13,14,14a-dodecahydro-1H-picen-3-one

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Identifiers

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