(Q104986953)

English

[(5S,6R,7S,8R,9R,10R,13S,17R)-17-(2,3-dihydrofuran-4-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[17-(2,3-Dihydrofuran-4-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

454.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

22,23-Dihydronimocinol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₅

0 references

canonical SMILES

O=C(OC1C(O)C2C(C(=O)C=CC2(C)C3CCC4(C(=CCC4C5=COCC5)C13C)C)(C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COCC3)[C@]12C

0 references

found in taxon

Azadirachta indica

1 reference

stated in

Two new triterpenoids from Azadirachta indica and their insecticidal activity

Identifiers

InChI

InChI=1S/C28H38O5/c1-16(29)33-24-22(31)23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,24)6/h8,10,13,15,18,20,22-24,31H,7,9,11-12,14H2,1-6H3/t18-,20+,22+,23+,24+,26-,27+,28-/m0/s1

0 references

InChIKey

DQHRAIFEHNKZSV-APTYANGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQHRAIFEHNKZSV-APTYANGKSA-N

(Q104986953)

[(5S,6R,7S,8R,9R,10R,13S,17R)-17-(2,3-dihydrofuran-4-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

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Identifiers

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