(Q110175899)

English

3-[(2R,3R,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-[(2S,3S,4S)-3-hydroxy-4-methoxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

518.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₈

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5=CC(OC6OCCC(OC)C6O)C(O)CC5(C)C4CCC23C

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isomeric SMILES

CO[C@H]1CCO[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)C[C@H]2O)[C@H]1O

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found in taxon

Elaeodendron

1 reference

stated in

Antiproliferative cardenolides of an Elaeodendron sp. from the Madagascar rain forest(1)

Identifiers

InChI

InChI=1S/C29H42O8/c1-27-14-21(30)23(37-26-25(32)22(34-3)8-11-35-26)13-17(27)4-5-20-19(27)6-9-28(2)18(7-10-29(20,28)33)16-12-24(31)36-15-16/h12-13,18-23,25-26,30,32-33H,4-11,14-15H2,1-3H3/t18-,19+,20-,21-,22+,23-,25+,26+,27+,28-,29+/m1/s1

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InChIKey

KGHVKLKIEZEJMZ-QPASPVMUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGHVKLKIEZEJMZ-QPASPVMUSA-N

1 reference

(Q110175899)

3-[(2R,3R,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-[(2S,3S,4S)-3-hydroxy-4-methoxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Identifiers

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