(Q104998225)

English

[(2S,3R,4S,5R)-2-[2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-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-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

410.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₇

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canonical SMILES

O=C(OC1C(OCC(O)C1O)OC(C)(C)C2CC3=C(C(=O)CCC3(C)CC2)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC(=O)C(C)=C3C2)OC[C@@H](O)[C@@H]1O

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found in taxon

Iphiona scabra

1 reference

stated in

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI

InChI=1S/C22H34O7/c1-12-15-10-14(6-8-22(15,5)9-7-16(12)24)21(3,4)29-20-19(28-13(2)23)18(26)17(25)11-27-20/h14,17-20,25-26H,6-11H2,1-5H3/t14-,17-,18+,19-,20+,22+/m1/s1

0 references

InChIKey

FNDPMSQPTBITJF-FJWSZCPQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNDPMSQPTBITJF-FJWSZCPQSA-N

(Q104998225)

[(2S,3R,4S,5R)-2-[2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

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Identifiers

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