(Q104944673)

English

7-Hydroxy-8-[5-[4-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one

group of stereoisomers with the chemical formula C₄₁H₆₂O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

794.408871284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₂O₁₅

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canonical SMILES

O=C1OC2COC3(OC=C(CCC4C1CC=C5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(OC)C8)C(O)C7)C(OC)C6)C(O)CC54C)C23)C

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found in taxon

Vincetoxicum sublanceolatum

1 reference

stated in

Rapid identification of C21 steroidal saponins in Cynanchum versicolor Bunge by electrospray ionization multi-stage tandem mass spectrometry and liquid chromatography/tandem mass spectrometry.

Identifiers

InChI

InChI=1S/C41H62O15/c1-19-36(44)29(46-6)14-34(50-19)55-37-20(2)51-32(13-26(37)42)56-38-21(3)52-33(15-30(38)47-7)53-28-12-23-9-10-24-25(40(23,4)16-27(28)43)11-8-22-17-48-41(5)35(22)31(18-49-41)54-39(24)45/h9,17,19-21,24-38,42-44H,8,10-16,18H2,1-7H3

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InChIKey

BRAQGYOYQRQKSH-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104944673)

7-Hydroxy-8-[5-[4-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one

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Identifiers

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