(Q110076754)

English

[22,23,25-Triacetyloxy-21-(acetyloxymethyl)-20,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate

group of stereoisomers with the chemical formula C₃₉H₄₅NO₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

815.2636636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₅NO₁₈

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(O)C(OC(=O)C5=COC=C5)C(OC(=O)C(C)CCC6=NC=CC=C16)C3(O)C)C

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found in taxon

Tripterygium wilfordii

1 reference

stated in

The genus Tripterygium: A phytochemistry and pharmacological review

Identifiers

InChI

InChI=1S/C39H45NO18/c1-18-10-11-25-24(9-8-13-40-25)35(48)52-16-36(6)26-27(53-20(3)42)32(55-22(5)44)38(17-51-19(2)41)29(45)28(56-34(47)23-12-14-50-15-23)31(57-33(18)46)37(7,49)39(38,58-36)30(26)54-21(4)43/h8-9,12-15,18,26-32,45,49H,10-11,16-17H2,1-7H3

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InChIKey

VBVOUDKBPSNAQD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBVOUDKBPSNAQD-UHFFFAOYSA-N

KNApSAcK ID

C00055592

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VBVOUDKBPSNAQD-UHFFFAOYSA-N

(Q110076754)

[22,23,25-Triacetyloxy-21-(acetyloxymethyl)-20,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate

Statements

Identifiers

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