(Q105134917)

English

[(3S,4R,5S,6R)-4,5-dihydroxy-6-[(2R)-5-[(4R)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentoxy]oxan-3-yl] (E)-2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-[5-[4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentoxy]oxan-3-yl] 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate

1 reference

1 reference

586.386954068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₇

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canonical SMILES

O=C(OC1COC(OCC(C)CCCC2=CCC(CC2)C(O)(C)C)C(O)C1O)C(=CCCC3=CC=C(C=C3)C(C)C)C

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isomeric SMILES

C/C(=C\CCc1ccc(C(C)C)cc1)C(=O)O[C@H]1CO[C@@H](OC[C@H](C)CCCC2=CC[C@H](C(C)(C)O)CC2)[C@@H](O)[C@H]1O

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found in taxon

Nidorella aegyptiaca

1 reference

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

Identifiers

InChI

InChI=1S/C35H54O7/c1-23(2)28-17-13-26(14-18-28)12-8-10-25(4)33(38)42-30-22-41-34(32(37)31(30)36)40-21-24(3)9-7-11-27-15-19-29(20-16-27)35(5,6)39/h10,13-15,17-18,23-24,29-32,34,36-37,39H,7-9,11-12,16,19-22H2,1-6H3/b25-10+/t24-,29+,30+,31+,32+,34-/m1/s1

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InChIKey

JTPNAVNBDHZIJG-LOLINVPLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTPNAVNBDHZIJG-LOLINVPLSA-N

(Q105134917)

[(3S,4R,5S,6R)-4,5-dihydroxy-6-[(2R)-5-[(4R)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentoxy]oxan-3-yl] (E)-2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate

Statements

Identifiers

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