(Q105280341)

English

[(1R,2S,5S,6S,9S,10S,13R,15R,16S,20S,23S,24R,25S,26S)-1,10,15,24,25,26-hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1,10,15,24,25,26-Hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

605.356382212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₁NO₉

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(O)C)C5(O)CC42OCC13O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]2(C[C@@]2(O)[C@@H]5CN6C[C@@H](C)CC[C@H]6[C@@](C)(O)[C@@]5(O)[C@@H](O)C[C@@]42O)OC[C@]13O

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found in taxon

Veratrum oblongum

1 reference

stated in

A steroidal alkaloid from Veratrum oblongum

Identifiers

InChI

InChI=1S/C33H51NO9/c1-6-19(3)26(36)43-25-11-12-27(4)20-8-9-21-30(39)13-24(35)33(41)22(15-34-14-18(2)7-10-23(34)28(33,5)37)31(30,40)16-32(21,27)42-17-29(20,25)38/h6,18,20-25,35,37-41H,7-17H2,1-5H3/b19-6-/t18-,20-,21-,22-,23-,24-,25-,27-,28+,29+,30+,31+,32+,33-/m0/s1

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InChIKey

UWGBIKPRXRSRNM-MDGXCQEFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105280341)

[(1R,2S,5S,6S,9S,10S,13R,15R,16S,20S,23S,24R,25S,26S)-1,10,15,24,25,26-hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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