(Q105290590)

English

[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[2-[(2R,4aR)-8-(hydroxymethyl)-4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]oxan-3-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

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eudesmane sesquiterpenoid

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496.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₉

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canonical SMILES

O=C(OC1COC(OC(C)(C)C2CC3=C(CO)CCCC3(C)CC2)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

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

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1 reference

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI=1S/C26H40O9/c1-15(28)32-21-14-31-24(23(34-17(3)30)22(21)33-16(2)29)35-25(4,5)19-9-11-26(6)10-7-8-18(13-27)20(26)12-19/h19,21-24,27H,7-14H2,1-6H3/t19-,21-,22+,23-,24+,26-/m1/s1

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VOZNBQLIGQEEPQ-YWSZBWRTSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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