(Q105112547)

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] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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 acetate

1 reference

based on heuristic

inferred from SMILES

(2S,6S,10S,12R,15S,18S,19S,22S,23R)-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 acetate

1 reference

based on heuristic

inferred from SMILES

[(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] acetate

1 reference

based on heuristic

inferred from SMILES

mass

535.3145174 dalton

1 reference

1 reference

C₂₉H₄₅NO₈

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@]13O)[C@@H]1CN2C[C@@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@@H](O)[C@@H]5O

0 references

found in taxon

Veratrum album

2 references

stated in

Studies on the Constituent of Domestic Veratrum Plants. II

stated in

Studies on the Constituent of Domestic Veratrum Plants. I

Veratrum album var. oxysepalum

1 reference

stated in

Studies on the Constituent of Domestic Veratrum Plants. I

Toxicoscordion venenosum

1 reference

stated in

Zygadenus Alkaloids. V. Active Principles of Zygadenus venenosus. Zygacine1

Identifiers

InChI

InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3/t14-,16-,17-,18-,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-/m0/s1

0 references

InChIKey

IGDRXLIXNAWBBF-JRLIYKMQSA-N

0 references

CAS Registry Number

2777-79-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGDRXLIXNAWBBF-JRLIYKMQSA-N

1 reference

1 reference

matched by identifier from

InChIKey

IGDRXLIXNAWBBF-JRLIYKMQSA-N

(Q105112547)

[(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] acetate

Statements

Identifiers

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