(Q105147851)

English

[(2S,3R,4S,5R)-2-[2-[(2R,4aR,8S)-8-(hydroxymethyl)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4,5-dihydroxy-2-[2-[8-(hydroxymethyl)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yloxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

412.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₇

0 references

canonical SMILES

O=C(OC1C(OCC(O)C1O)OC(C)(C)C2C=C3C(CO)CCCC3(C)CC2)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(C)(C)[C@H]2C=C3[C@@H](CO)CCC[C@]3(C)CC2)OC[C@@H](O)[C@@H]1O

0 references

1 reference

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI=1S/C22H36O7/c1-13(24)28-19-18(26)17(25)12-27-20(19)29-21(2,3)15-7-9-22(4)8-5-6-14(11-23)16(22)10-15/h10,14-15,17-20,23,25-26H,5-9,11-12H2,1-4H3/t14-,15-,17-,18+,19-,20+,22-/m1/s1

0 references

KYPZZRKVCRIVGT-XHSFXTEOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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