(Q115969717)

English

4,5,6,17-tetrahydroxy-17-[1-(6-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)ethyl]-10,13-dimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-1-one

group of stereoisomers with the chemical formula C₂₈H₄₂O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

490.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₇

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canonical SMILES

O=C1C=CC(O)C2(O)C(O)CC3C(CCC4(C)C3CCC4(O)C(C)C5OC(O)C(=C(C)C5)C)C12C

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found in taxon

Tubocapsicum anomalum

1 reference

stated in

Cytotoxic withanolides from Tubocapsicum anomalum

Identifiers

InChI

InChI=1S/C28H42O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-24,30-34H,8-13H2,1-5H3

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InChIKey

KOTKJJXIFZHEFY-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KOTKJJXIFZHEFY-UHFFFAOYSA-N

(Q115969717)

4,5,6,17-tetrahydroxy-17-[1-(6-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)ethyl]-10,13-dimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-1-one

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Identifiers

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