(Q115951908)

English

methyl 1,7,11-triacetyloxy-17-(furan-3-yl)-3-hydroxy-4,8,10,13-tetramethyl-12-(2-methylbutanoyloxy)-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate

group of stereoisomers with the chemical formula C₃₈H₅₂O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

700.345877104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₂O₁₂

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canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C2(C(=CCC2C3=COC=C3)C4(C)C(OC(=O)C)CC5C(C(=O)OC)(C)C(O)CC(OC(=O)C)C5(C)C14)C)C

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found in taxon

Turraea floribunda

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stated in

Limonoids from Turraea floribunda

Identifiers

InChI

InChI=1S/C38H52O12/c1-11-19(2)33(43)50-32-30(49-22(5)41)31-37(8,25-13-12-24(35(25,32)6)23-14-15-46-18-23)28(47-20(3)39)16-26-36(7,34(44)45-10)27(42)17-29(38(26,31)9)48-21(4)40/h13-15,18-19,24,26-32,42H,11-12,16-17H2,1-10H3

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InChIKey

ZHULVFZRDBVHPE-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ZHULVFZRDBVHPE-UHFFFAOYSA-N

(Q115951908)

methyl 1,7,11-triacetyloxy-17-(furan-3-yl)-3-hydroxy-4,8,10,13-tetramethyl-12-(2-methylbutanoyloxy)-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate

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Identifiers

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