(Q105288596)

English

(4S,12R,20R)-4,12,20-tris(4-hydroxyphenyl)-8,16,24-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-6,14,22-triol

chemical compound

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instance of

type of chemical entity

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subclass of

4,12,20-tris(4-hydroxyphenyl)-8,16,24-trimethoxytetracyclo[19.3.1.1⁵,⁹.1¹³,¹⁷]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-6,14,22-triol

1 reference

based on heuristic

inferred from SMILES

mass

768.329833116 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,12R,20R)-4,12,20-tris(4-hydroxyphenyl)-8,16,24-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-6,14,22-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₄₈O₉

0 references

canonical SMILES

OC1=CC=C(C=C1)C2C=3C=C(C(OC)=CC3O)CCC(C4=CC=C(O)C=C4)C=5C=C(C(OC)=CC5O)CCC(C6=CC=C(O)C=C6)C=7C=C(C(OC)=CC7O)CC2

0 references

isomeric SMILES

COc1cc(O)c2cc1CC[C@@H](c1ccc(O)cc1)c1cc(c(OC)cc1O)CC[C@H](c1ccc(O)cc1)c1cc(c(OC)cc1O)CC[C@@H]2c1ccc(O)cc1

0 references

found in taxon

Dracaena cinnabari

1 reference

stated in

Dracophane, a metacyclophane derivative from the resin of Dracaena cinnabari Balf

Identifiers

InChI

InChI=1S/C48H48O9/c1-55-46-25-43(52)40-22-31(46)10-19-37(28-4-13-34(49)14-5-28)41-23-33(47(56-2)26-44(41)53)12-21-39(30-8-17-36(51)18-9-30)42-24-32(48(57-3)27-45(42)54)11-20-38(40)29-6-15-35(50)16-7-29/h4-9,13-18,22-27,37-39,49-54H,10-12,19-21H2,1-3H3/t37-,38-,39+/m1/s1

0 references

InChIKey

VLRAAOITKPZYPI-PHAUOLPESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLRAAOITKPZYPI-PHAUOLPESA-N

(Q105288596)

(4S,12R,20R)-4,12,20-tris(4-hydroxyphenyl)-8,16,24-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-6,14,22-triol

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