(Q104945415)

English

6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

group of stereoisomers with the chemical formula C₃₃H₅₃NO₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

575.3822030359999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₅₃NO₇

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canonical SMILES

O=C1CC2C3CCC4C(C)C5N(CC(C)CC5)CC4C3CC2C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)CC16

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isomeric SMILES

CC1CCC2C(C)C3CCC4C(CC5C4CC(=O)C4CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CCC45C)C3CN2C1

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found in taxon

Fritillaria hupehensis

1 reference

stated in

Characterizing distribution of steroidal alkaloids in Fritillaria spp. and related compound formulas by liquid chromatography-mass spectrometry combined with hierarchial cluster analysis

Fritillaria monantha

1 reference

stated in

Characterizing distribution of steroidal alkaloids in Fritillaria spp. and related compound formulas by liquid chromatography-mass spectrometry combined with hierarchial cluster analysis

Identifiers

InChI

InChI=1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,28-,29-,30+,31-,32-,33?/m1/s1

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InChIKey

BSSXNTZKMOAXRA-IBVHALSSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BSSXNTZKMOAXRA-IBVHALSSSA-N

1 reference

(Q104945415)

6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

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Identifiers

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