(Q105283574)

English

[(2S,3R,4S,5R)-2-[2-[(3S,3aS,5R,7aS)-3-acetyl-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-{[2-(3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1H-inden-5-yl)propan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

428.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₈

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canonical SMILES

O=C(OC1C(OCC(O)C1O)OC(C)(C)C2CCC3(C)CCC(C(=O)C)C3(O)C2)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@H](C(C)=O)[C@@]3(O)C2)OC[C@@H](O)[C@@H]1O

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found in taxon

Iphiona mucronata

1 reference

stated in

Sesquiterpene Xylosides from Iphiona mucronata

Iphiona scabra

1 reference

stated in

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI

InChI=1S/C22H36O8/c1-12(23)15-7-9-21(5)8-6-14(10-22(15,21)27)20(3,4)30-19-18(29-13(2)24)17(26)16(25)11-28-19/h14-19,25-27H,6-11H2,1-5H3/t14-,15-,16-,17+,18-,19+,21+,22+/m1/s1

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InChIKey

VBZBMHHXONIZHW-NVTTYYAUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBZBMHHXONIZHW-NVTTYYAUSA-N

(Q105283574)

[(2S,3R,4S,5R)-2-[2-[(3S,3aS,5R,7aS)-3-acetyl-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

Statements

Identifiers

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