(Q105276604)

English

(2S)-6-methyl-4-oxo-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enal

chemical compound

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instance of

type of chemical entity

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subclass of

6-Methyl-4-oxo-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enal

1 reference

based on heuristic

inferred from SMILES

mass

452.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₃

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canonical SMILES

O=CC(CC(=O)C=C(C)C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)C)C

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isomeric SMILES

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

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found in taxon

Entandrophragma angolense

1 reference

stated in

Tirucallane triterpenes from the leaf extract of Entandrophragma angolense

Identifiers

InChI

InChI=1S/C30H44O3/c1-19(2)16-21(32)17-20(18-31)22-10-14-30(7)24-8-9-25-27(3,4)26(33)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,18,20,22-23,25H,9-15,17H2,1-7H3/t20-,22+,23+,25+,28-,29+,30-/m1/s1

0 references

InChIKey

UOWCRZCTJKGGKK-CGCXKXEYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UOWCRZCTJKGGKK-CGCXKXEYSA-N

(Q105276604)

(2S)-6-methyl-4-oxo-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enal

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