(Q110177037)

English

(4aR,6aS,6aR,6bR,8aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,13,14,14a-dodecahydropicene-3,10-dione

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

438.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₂

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5=CC(C(=O)CC5(C)CCC43C)(C)C)C1(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]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O

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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/C30H46O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h17,19,21-22H,9-16,18H2,1-8H3/t19-,21+,22-,27+,28+,29-,30-/m1/s1

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InChIKey

RQDLTMJICUPVHL-GSVYLOGMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQDLTMJICUPVHL-GSVYLOGMSA-N

1 reference

(Q110177037)

(4aR,6aS,6aR,6bR,8aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,13,14,14a-dodecahydropicene-3,10-dione

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Identifiers

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