(Q105297919)

English

[(2S,3R,4S,5R)-2-[2-[(2R,4aS,7R,8aR)-7-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-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

[4,5-Dihydroxy-2-[2-(7-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

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)C2CCC3(C)CCC(O)C(=C)C3C2)C

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isomeric SMILES

C=C1[C@H](O)CC[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(C)=O)C[C@@H]12

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found in taxon

Iphiona scabra

1 reference

stated in

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI

InChI=1S/C22H36O7/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/h14-20,24-26H,1,6-11H2,2-5H3/t14-,15+,16-,17-,18+,19-,20+,22+/m1/s1

0 references

InChIKey

VVVNXSUSPGKXID-QDVNZPGHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VVVNXSUSPGKXID-QDVNZPGHSA-N

(Q105297919)

[(2S,3R,4S,5R)-2-[2-[(2R,4aS,7R,8aR)-7-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-4,5-dihydroxyoxan-3-yl] acetate

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Identifiers

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