(Q105369976)

English

[(1S,2S,5S,6S,9S,10S,13R,15S,16S,20S,23S,24S,25R,26R,27S)-1,10,24,26,27-pentahydroxy-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

0 references

subclass of

(1,10,24,26,27-Pentahydroxy-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

589.361467592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₁NO₈

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OCC13O)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@@]5(O)[C@@H](C[C@@]42OC[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 oblongum

1 reference

stated in

A steroidal alkaloid from Veratrum oblongum

Identifiers

InChI

InChI=1S/C33H51NO8/c1-6-18(3)28(37)42-24-11-12-29(4)21-8-9-22-32(29,41-16-31(21,24)39)13-20-19-15-34-14-17(2)7-10-23(34)30(5,38)25(19)26(35)27(36)33(20,22)40/h6,17,19-27,35-36,38-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22+,23-,24-,25+,26+,27-,29-,30+,31+,32+,33-/m0/s1

0 references

InChIKey

ZAOIBYFIMMGYJQ-CLMJUTLZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZAOIBYFIMMGYJQ-CLMJUTLZSA-N

(Q105369976)

[(1S,2S,5S,6S,9S,10S,13R,15S,16S,20S,23S,24S,25R,26R,27S)-1,10,24,26,27-pentahydroxy-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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