(Q105168710)

English

[(2R,3S,4S,5R,6S)-3-hydroxy-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-6-[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Hydroxy-2-methyl-5-(2-methylbut-2-enoyloxy)-6-[6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-yl]oxyoxan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

532.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₇

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canonical SMILES

O=C(OC1C(OC(C)C(O)C1OC(=O)C(=CC)C)OC(C)(CCC=C(C)C)C2CC=C(C)CC2)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)[C@@H]1OC(=O)/C(C)=C\C

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found in taxon

Osteospermum microcarpum

1 reference

stated in

Sesquiterpene glycosides and other constituents from osteospermum species

Identifiers

InChI

InChI=1S/C31H48O7/c1-10-21(6)28(33)36-26-25(32)23(8)35-30(27(26)37-29(34)22(7)11-2)38-31(9,18-12-13-19(3)4)24-16-14-20(5)15-17-24/h10-11,13-14,23-27,30,32H,12,15-18H2,1-9H3/b21-10-,22-11-/t23-,24-,25+,26+,27-,30+,31-/m1/s1

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InChIKey

MNZJBUUBXWYWFK-PUJQVYKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNZJBUUBXWYWFK-PUJQVYKWSA-N

(Q105168710)

[(2R,3S,4S,5R,6S)-3-hydroxy-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-6-[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxan-4-yl] (Z)-2-methylbut-2-enoate

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