(Q105156019)

English

[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1S,2S,6S,9S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

1 reference

1 reference

657.351296832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23R,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₁NO₁₀

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C8=CC=C(OC)C(OC)=C8

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isomeric SMILES

COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@@]6(O)[C@@H](C[C@@]53O[C@]24O)[C@@H]2CN3C[C@@H](C)CC[C@H]3[C@@](C)(O)[C@H]2[C@@H](O)[C@@H]6O)cc1OC

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found in taxon

Veratrum lobelianum

1 reference

stated in

Alkaloids ofVeratrum lobelianum. X. Structure of verdine

Veratrum oblongum

1 reference

stated in

A steroidal alkaloid from Veratrum oblongum

Veratrum album var. oxysepalum

3 references

stated in

Alkaloids ofVeratrum oxysepalum. II

stated in

Studies on the Constituent of Domestic Veratrum Plants. I

stated in

Alkaloids ofVeratrum oxysepalum. II

Veratrum dahuricum

2 references

stated in

Alkaloids ofVeratrum dahuricum

stated in

Steroidal alkaloids from Veratrum dahuricum

Veratrum maackii

1 reference

stated in

Veramadines A and B, New Steroidal Alkaloids from Veratrum maackii var. japonicum

Veratrum nigrum

1 reference

stated in

[Contribution to the knowledge of "amorphic alkaloids" of Veratrum album L. Report 7. On Veratrum alkaloids]

Toxicoscordion venenosum

1 reference

stated in

Zygadenus Alkaloids. III. Active Principles of Zygadenus venenosus. Veratroylzygadenine and Vanilloylzygadenine1

Identifiers

InChI

InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33+,34+,35-,36-/m0/s1

0 references

InChIKey

LQZYJVWXEFXUJG-OPPBMFSOSA-N

0 references

CAS Registry Number

31329-58-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

(Q105156019)

[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

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Identifiers

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