(Q105299658)

English

2-[[8-(1,2-Dihydroxy-2-methylpropyl)-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₅H₅₁NO₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

cyclopenta[b]pyridine alkaloid

1 reference

inferred from

cyclopenta[b]pyridine alkaloid

mass

613.361467592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₁NO₈

0 references

canonical SMILES

OC(C1=NC2=C(C(=C1)C)C3(C)CC(O)C45C(=CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC65C4)C3(C)C2)C(O)(C)C

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found in taxon

Actaea elata

1 reference

stated in

Cimicifugadine from Cimicifuga foetida, a new class of triterpene alklaoids with novel reactivity

Identifiers

InChI

InChI=1S/C35H51NO8/c1-17-12-18(28(41)31(4,5)42)36-19-13-32(6)22-9-8-21-30(2,3)24(44-29-27(40)26(39)20(37)15-43-29)10-11-34(21)16-35(22,34)23(38)14-33(32,7)25(17)19/h9,12,20-21,23-24,26-29,37-42H,8,10-11,13-16H2,1-7H3

0 references

InChIKey

VZCHDTSLPKIGFC-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZCHDTSLPKIGFC-UHFFFAOYSA-N

(Q105299658)

2-[[8-(1,2-Dihydroxy-2-methylpropyl)-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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