(Q105139372)

English

(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexatriaconta-2,30,34-triene-6,10,14,18,22,26-hexol

group of stereoisomers with the chemical formula C₅₁H₉₆O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

900.6901785120001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₁H₉₆O₁₂

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canonical SMILES

OCC1OC(OCC=C(C)CCC=C(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCC=C(C)C)C(O)C(O)C1O

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isomeric SMILES

CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Acremonium

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stated in

Neurokinin receptor inhibitors: fermentation, isolation, physico-chemical properties, structure and biological activity

Identifiers

InChI

InChI=1S/C51H96O12/c1-38(2)19-12-24-46(5,56)26-14-28-48(7,58)30-16-32-50(9,60)34-18-35-51(10,61)33-17-31-49(8,59)29-15-27-47(6,57)25-13-22-39(3)20-11-21-40(4)23-36-62-45-44(55)43(54)42(53)41(37-52)63-45/h19-20,23,41-45,52-61H,11-18,21-22,24-37H2,1-10H3/b39-20+,40-23+/t41-,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1

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InChIKey

KDSDRAPFJAZCEX-BXNNAIRLSA-N

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PubChem CID

9897632

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KDSDRAPFJAZCEX-BXNNAIRLSA-N

ChEBI ID

222987

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C51H96O12/c1-38(2)19-12-24-46(5,56)26-14-28-48(7,58)30-16-32-50(9,60)34-18-35-51(10,61)33-17-31-49(8,59)29-15-27-47(6,57)25-13-22-39(3)20-11-21-40(4)23-36-62-45-44(55)43(54)42(53)41(37-52)63-45/h19-20,23,41-45,52-61H,11-18,21-22,24-37H2,1-10H3/b39-20+,40-23+/t41-,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1

1 reference

Natural Product Atlas ID

NPA012125

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KDSDRAPFJAZCEX-BXNNAIRLSA-N

(Q105139372)

(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexatriaconta-2,30,34-triene-6,10,14,18,22,26-hexol

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Identifiers

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