(Q104935501)

English

1-[6-[(2,6-Dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carbonyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₈H₄₉NO₁₂

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Statements

instance of

group of stereoisomers

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1 reference

1 reference

711.325476008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₉NO₁₂

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canonical SMILES

O=C(O)C1=COC(OC2OC(COC(=O)C3CC45C(=O)C6CC7N(CC6C)CC(CCC8=C4C3CC8)C75C)C(O)C(O)C2O)C9C(=CCC19)CO

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found in taxon

Daphniphyllum calycinum

2 references

stated in

Daphcalycinosidines A and B, new iridoid-alkaloids from Daphniphyllum calycinum

stated in

Daphcalycinosidines A and B, New Iridoid-Alkaloids from Daphniphyllum calycinum.

Identifiers

InChI

InChI=1S/C38H49NO12/c1-16-11-39-12-19-6-3-17-4-8-21-23(10-38(28(17)21)32(44)22(16)9-26(39)37(19,38)2)34(47)48-15-25-29(41)30(42)31(43)36(50-25)51-35-27-18(13-40)5-7-20(27)24(14-49-35)33(45)46/h5,14,16,19-23,25-27,29-31,35-36,40-43H,3-4,6-13,15H2,1-2H3,(H,45,46)

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InChIKey

BGFSQHCTVLDZEX-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGFSQHCTVLDZEX-UHFFFAOYSA-N

(Q104935501)

1-[6-[(2,6-Dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carbonyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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Identifiers

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