(Q105283984)

English

4-[(1S,3R,7R,10R,11S,14S,16R)-14-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-5-en-6-yl]-5H-furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[14-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

530.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₈

0 references

canonical SMILES

O=C1OCC(=C1)C2=CCC34OC54CCC6CC(OC7OC(C)C(O)C(OC)C7O)CCC6(C)C5CCC23C

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isomeric SMILES

CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)[C@@H]1O

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found in taxon

Nerium indicum

1 reference

stated in

Pregnanes in the root bark of Nerium odorum

Nerium oleander

2 references

stated in

Pregnanes in the root bark of Nerium odorum

stated in

Three New Cardenolides from Methanol Extract of Stems and Twigs of Nerium oleander

Identifiers

InChI

InChI=1S/C30H42O8/c1-16-23(32)25(34-4)24(33)26(36-16)37-19-6-9-27(2)18(14-19)5-11-29-21(27)8-10-28(3)20(7-12-30(28,29)38-29)17-13-22(31)35-15-17/h7,13,16,18-19,21,23-26,32-33H,5-6,8-12,14-15H2,1-4H3/t16-,18-,19+,21-,23+,24-,25+,26+,27+,28-,29+,30-/m1/s1

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InChIKey

VCVUOYGJEFVXDV-YBQUAYIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VCVUOYGJEFVXDV-YBQUAYIVSA-N

1 reference

(Q105283984)

4-[(1S,3R,7R,10R,11S,14S,16R)-14-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-5-en-6-yl]-5H-furan-2-one

Statements

Identifiers

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