(Q105223553)

English

(E,6R)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2R)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol

chemical compound

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instance of

type of chemical entity

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subclass of

6-{5-[5'-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl}-2-methylhept-3-ene-2,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

540.366218624 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(alphaS,alpha'S,2S,2'R,2''S,5R,5'R,5''R)-alpha-[(E)-4-Methyl-4-hydroperoxy-2-pentenyl]-alpha'-(4-hydroxy-4-methyl-2-pentenyl)-alpha,alpha',2,2''-tetramethyl-2,2':5',2''-teroxolane-5,5''-dimethanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₈

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canonical SMILES

OOC(C=CCC(O)(C)C1OC(C)(CC1)C2OC(CC2)C3(OC(CC3)C(O)(C)CC=CC(O)(C)C)C)(C)C

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isomeric SMILES

CC(C)(O)/C=C/C[C@@](C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@H]([C@]3(C)CC[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)O3)O2)O1

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found in taxon

Eurycoma longifolia

1 reference

stated in

A New Squalene-type Triterpene from the Woods ofEurycoma longifolia

Identifiers

InChI

InChI=1S/C30H52O8/c1-25(2,31)15-9-17-27(5,32)21-13-19-29(7,36-21)23-11-12-24(35-23)30(8)20-14-22(37-30)28(6,33)18-10-16-26(3,4)38-34/h9-10,15-16,21-24,31-34H,11-14,17-20H2,1-8H3/b15-9+,16-10+/t21-,22-,23-,24-,27-,28-,29+,30+/m1/s1

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InChIKey

QLFRXAKUUDRERJ-QICCULDKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QLFRXAKUUDRERJ-QICCULDKSA-N

1 reference

(Q105223553)

(E,6R)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2R)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol

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