(Q104967262)

English

[(1S,2R,3R,4S,5S,7R,8R,9S,11R,12S,14R,16R,18S)-4,16,18-triacetyloxy-7-formyl-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,16,18-Triacetyloxy-7-formyl-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl) benzoate

1 reference

1 reference

619.241746384 dalton

1 reference

1 reference

C₃₄H₃₇NO₁₀

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canonical SMILES

O=CC1(C)CC(OC(=O)C=2C=CC=CC2)C(OC(=O)C)C34C5N(C)C(CC67C(OC(=O)C)C(=C)C(C(=O)C56)C(OC(=O)C)C73)C14

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isomeric SMILES

C=C1[C@H]2C(=O)[C@@H]3[C@H]4N(C)[C@H]5C[C@]3([C@@H]1OC(C)=O)[C@@H]([C@@H]2OC(C)=O)[C@@]41[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C[C@@](C)(C=O)[C@H]51

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found in taxon

Aconitum palmatum

1 reference

stated in

Alkaloids of aconitum palmatum: carbon skeleton of vakognavine

Identifiers

InChI

InChI=1S/C34H37NO10/c1-15-22-24(40)23-28-34-26(20(35(28)6)12-33(23,29(15)43-17(3)38)27(34)25(22)42-16(2)37)32(5,14-36)13-21(30(34)44-18(4)39)45-31(41)19-10-8-7-9-11-19/h7-11,14,20-23,25-30H,1,12-13H2,2-6H3/t20-,21-,22-,23+,25+,26-,27+,28+,29+,30+,32-,33+,34+/m0/s1

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InChIKey

COSBAEJVJIUFND-QPXUUXFWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

COSBAEJVJIUFND-QPXUUXFWSA-N

(Q104967262)

[(1S,2R,3R,4S,5S,7R,8R,9S,11R,12S,14R,16R,18S)-4,16,18-triacetyloxy-7-formyl-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl] benzoate

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