(Q105185657)

English

[(2S,3R,4S,5R)-2-[2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

2-{[2-(4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl)propan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

396.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₆

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canonical SMILES

O=C(OC1C(OCC(O)C1O)OC(C)(C)C2CCC3(C)CCC=C(C)C3C2)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=C(C)[C@@H]3C2)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/C22H36O6/c1-13-7-6-9-22(5)10-8-15(11-16(13)22)21(3,4)28-20-19(27-14(2)23)18(25)17(24)12-26-20/h7,15-20,24-25H,6,8-12H2,1-5H3/t15-,16+,17-,18+,19-,20+,22-/m1/s1

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InChIKey

NTUCDCCCTFLXCV-TUYITFMESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTUCDCCCTFLXCV-TUYITFMESA-N

(Q105185657)

[(2S,3R,4S,5R)-2-[2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

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Identifiers

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