(Q105213521)

English

[(10R)-17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

group of stereoisomers with the chemical formula C₃₇H₅₄O₄

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Statements

instance of

group of stereoisomers

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subclass of

4-methylstigmastane steroid

1 reference

inferred from

4-methylstigmastane steroid

mass

562.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₄O₄

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canonical SMILES

O=C(OC1CCC2(C)C3C(=CC(=O)C2C1C)C4CCC(C(C)C(O)CC(CC)C(C)C)C4(C)CC3)C=5C=CC=CC5

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isomeric SMILES

CCC(CC(O)C(C)C1CCC2C3=CC(=O)C4C(C)C(OC(=O)c5ccccc5)CC[C@]4(C)C3CCC21C)C(C)C

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found in taxon

Solanum anguivi

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stated in

Cytotoxic principles and their derivatives of Formosan Solanum plants

Identifiers

InChI

InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23?,24?,25?,28?,29?,30?,31?,33?,34?,36?,37-/m1/s1

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InChIKey

PQWWCRLPWBAFIP-WATVYLTASA-N

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2 references

4 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PQWWCRLPWBAFIP-WATVYLTASA-N

1 reference

(Q105213521)

[(10R)-17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Statements

Identifiers

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