(Q105246440)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

480.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₈

0 references

canonical SMILES

O=C(OC1COC(OC(C)(C)C2C=C3C(C)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]2C=C3[C@@H](C)CCC[C@]3(C)CC2)[C@@H]1OC(C)=O

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found in taxon

Iphiona scabra

2 references

stated in

10-EPI-cubebolxyloside from Iphiona scabra

stated in

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI

InChI=1S/C26H40O8/c1-15-9-8-11-26(7)12-10-19(13-20(15)26)25(5,6)34-24-23(33-18(4)29)22(32-17(3)28)21(14-30-24)31-16(2)27/h13,15,19,21-24H,8-12,14H2,1-7H3/t15-,19+,21+,22-,23+,24-,26+/m0/s1

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InChIKey

RWCFHQDIIQBNEE-SKLDMELOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RWCFHQDIIQBNEE-SKLDMELOSA-N

(Q105246440)

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

Statements

Identifiers

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