(Q105341063)

English

1-[(2'S,3S,4'R,5R,10S,13S,14S,17S)-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-[6,6-bis(hydroxymethyl)-3',3a,9a,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,5a,7,8,9,10,11-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-yl]propan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

636.387347992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₁₀

0 references

canonical SMILES

O=C(CC)C1OC2(CCC3(C4=C(CCC32C)C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(CO)(CO)C5CC4)C)C(C)C1

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isomeric SMILES

CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)(CO)[C@@H]2CC4)O1

0 references

found in taxon

Muscari armeniacum

1 reference

stated in

Glycosides from Muscari armeniacum and Muscari botryoides. Isolation and structure of Muscarosides G–N

Identifiers

InChI

InChI=1S/C35H56O10/c1-6-22(39)23-15-19(2)35(45-23)14-13-32(4)21-7-8-25-31(3,20(21)9-12-33(32,35)5)11-10-26(34(25,17-37)18-38)44-30-29(42)28(41)27(40)24(16-36)43-30/h19,23-30,36-38,40-42H,6-18H2,1-5H3/t19-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,33+,35+/m1/s1

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InChIKey

XSKQDKQMKQAAST-DGTLOFDQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105341063)

1-[(2'S,3S,4'R,5R,10S,13S,14S,17S)-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one

Statements

Identifiers

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