(Q105212295)

English

(1R,3S,4S,5R,8R,10R,13S,14R,17R,20R,21S,22R)-8,10,17,22-tetramethyl-5,20-di(propan-2-yl)-2,9,23-trioxapentacyclo[15.4.2.03,10.08,13.014,22]tricosane-4,21-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8,10,17,22-Tetramethyl-5,20-di(propan-2-yl)-2,9,23-trioxapentacyclo[15.4.2.03,10.08,13.014,22]tricosane-4,21-diol

1 reference

based on heuristic

inferred from SMILES

(4S,5R,8S,10R,17S,20R,21S,22R)-8,10,17,22-tetramethyl-5,20-di(propan-2-yl)-2,9,23-trioxapentacyclo[15.4.2.03,10.08,13.014,22]tricosane-4,21-diol

1 reference

based on heuristic

inferred from SMILES

mass

492.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₅

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canonical SMILES

OC1C2OC3C(O)C(CCC4(OC3(C)C(CC4)C5CCC2(OC5(C)CCC1C(C)C)C)C)C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@@]2(C)O[C@]3(C)CC[C@H]2[C@H]2CC[C@@]4(C)CC[C@H](C(C)C)[C@H](O)[C@@H](O[C@H]3[C@H]1O)[C@]2(C)O4

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found in taxon

Cleome droserifolia

1 reference

stated in

Terpenes and flavonoids from an Egyptian collection of Cleome droserifolia.

Cleome ovalifolia

1 reference

stated in

Terpenes and flavonoids from an Egyptian collection of Cleome droserifolia.

Identifiers

InChI

InChI=1S/C30H52O5/c1-17(2)19-9-13-27(5)14-11-22-21-12-16-29(7)25(33-26(24(19)32)30(22,8)34-27)23(31)20(18(3)4)10-15-28(21,6)35-29/h17-26,31-32H,9-16H2,1-8H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28-,29-,30-/m1/s1

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InChIKey

POACYTHUHRHMOX-DLMRKJTESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105212295)

(1R,3S,4S,5R,8R,10R,13S,14R,17R,20R,21S,22R)-8,10,17,22-tetramethyl-5,20-di(propan-2-yl)-2,9,23-trioxapentacyclo[15.4.2.03,10.08,13.014,22]tricosane-4,21-diol

Statements

Identifiers

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