(Q105228627)

English

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3S,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-[1-(3,4-Dihydroxy-5,5-dimethyloxolan-2-yl)ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

(5R,9S,10R,13S,14S,17R)-17-[1-[(2R)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2S,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

1 reference

C₃₀H₄₈O₄

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canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)C5OC(C)(C)C(O)C5O)C4(C)CC3

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isomeric SMILES

C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1OC(C)(C)[C@@H](O)[C@@H]1O

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found in taxon

Azadirachta indica

1 reference

stated in

Tetracyclic triterpenoids from the leaves of Azadirachta indica and their insecticidal activities.

Identifiers

InChI

InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23-,24-,25+,28-,29+,30-/m1/s1

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InChIKey

QVEUBDDZMCFHNJ-IVTPKZRXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVEUBDDZMCFHNJ-IVTPKZRXSA-N

1 reference

(Q105228627)

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3S,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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