(Q105249754)

English

Iristectorene F

group of stereoisomers with the chemical formula C₄₈H₈₂O₅

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instance of

group of stereoisomers

0 references

1 reference

738.616225724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₂O₅

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canonical SMILES

O=CC(=C1CCC(O)(C)C(C)(CCC=C(C)C(O)CC=C(C)CCC=C(C)C)C1CCCOC(=O)CCCCCCCCCC=CCCCCCC)C

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isomeric SMILES

CCCCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(\C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)C(O)C/C=C(\C)CCC=C(C)C

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found in taxon

Iris tectorum

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stated in

Iristectorenes A and C-G, monocyclic triterpene esters from Iris tectorum

Identifiers

InChI

InChI=1S/C48H82O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-46(51)53-37-26-30-44-43(42(6)38-49)34-36-48(8,52)47(44,7)35-25-29-41(5)45(50)33-32-40(4)28-24-27-39(2)3/h14-15,27,29,32,38,44-45,50,52H,9-13,16-26,28,30-31,33-37H2,1-8H3/b15-14-,40-32+,41-29+,43-42+/t44-,45?,47+,48+/m1/s1

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InChIKey

SBWPODCMBUGMQH-OZZLITCASA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105249754)

Iristectorene F

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