(Q105138514)

English

[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,13,14,16,22,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-12-yl] (2S)-2-methylbutanoate

chemical compound

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Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

593.356382212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₁NO₉

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canonical SMILES

O=C(OC1C(O)C2(O)C(CC34OC5(O)C(O)CCC4(C)C5CC(O)C23)C6CN7CC(C)CCC7C(O)(C)C16)C(C)CC

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isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@]2(O)[C@@H](C[C@]34O[C@]5(O)[C@@H](O)CC[C@@]3(C)[C@@H]5C[C@@H](O)[C@@H]24)[C@@H]2CN3C[C@@H](C)CC[C@H]3[C@@](C)(O)[C@H]21

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Veratrum nigrum

1 reference

Studies on the constituents of Veratrum plants. II. Constituents of Veratrum nigrum L. var. ussuriense. (1). Structure and 1H- and 13C-nuclear magnetic resonance spectra of a new alkaloid, verussurinine, and related alkaloids.

Identifiers

InChI=1S/C32H51NO9/c1-6-16(3)27(37)41-24-23-17(14-33-13-15(2)7-8-21(33)29(23,5)38)18-12-30-25(31(18,39)26(24)36)19(34)11-20-28(30,4)10-9-22(35)32(20,40)42-30/h15-26,34-36,38-40H,6-14H2,1-5H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,28-,29+,30+,31-,32-/m0/s1

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KBTBHGPSEWACMW-DXWWGHDLSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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