(Q27135120)

English

sorocenol G

chemical compound

In more languages

Statements

type of chemical entity

0 references

biogenic benzofuran

0 references

0 references

628.21±0 dalton

1 reference

language of work or name

Sorocenol G (English)

7 October 2016

stereoisomer of

(1S,9S,13S,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,9S,13S,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

(1R,9S,13R,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₂O₈

1 reference

language of work or name

Sorocenol G (English)

7 October 2016

canonical SMILES

CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=C2C(=CC(=C5)C6=CC7=C(O6)C=C(C=C7)O)O)C8=C9C(=C(C=C8)O)C=CC(O9)(C)C

1 reference

language of work or name

Sorocenol G (English)

7 October 2016

isomeric SMILES

CC1=C[C@H]2[C@@H]3[C@@H](C1)C4=C(C=C(C=C4)O)O[C@]3(OC5=C2C(=CC(=C5)C6=CC7=C(O6)C=C(C=C7)O)O)C8=C9C(=C(C=C8)O)C=CC(O9)(C)C

1 reference

language of work or name

Sorocenol G (English)

7 October 2016

Sorocea muriculata

1 reference

Sorocenols G and H, anti-MRSA oxygen heterocyclic Diels-Alder-type adducts from Sorocea muriculata roots.

Identifiers

InChI=1S/C39H32O8/c1-19-12-26-24-7-6-23(41)18-33(24)45-39(28-8-9-29(42)25-10-11-38(2,3)47-37(25)28)36(26)27(13-19)35-30(43)14-21(16-34(35)46-39)31-15-20-4-5-22(40)17-32(20)44-31/h4-11,13-18,26-27,36,40-43H,12H2,1-3H3/t26-,27+,36-,39-/m0/s1

1 reference

language of work or name

Sorocenol G (English)

7 October 2016

GOBAQYCCUYZMJY-HGLYATPPSA-N

2 references

language of work or name

Sorocenol G (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

sorocenol G (English)

7 October 2016

GOBAQYCCUYZMJY-HGLYATPPSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1067461-19-1

1 reference

language of work or name

(3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol (English)

7 October 2016

2 references

language of work or name

Sorocenol G (English)

7 October 2016

matched by identifier from

GOBAQYCCUYZMJY-HGLYATPPSA-N

Reaxys registry number

19203597

1 reference

language of work or name

sorocenol G (English)

7 October 2016

mapping relation type

2 references

language of work or name

sorocenol G (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C39H32O8/c1-19-12-26-24-7-6-23(41)18-33(24)45-39(28-8-9-29(42)25-10-11-38(2,3)47-37(25)28)36(26)27(13-19)35-30(43)14-21(16-34(35)46-39)31-15-20-4-5-22(40)17-32(20)44-31/h4-11,13-18,26-27,36,40-43H,12H2,1-3H3/t26-,27+,36-,39-/m0/s1

1 reference

language of work or name

SOROCENOL G (English)

7 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201098482

1 reference

matched by identifier from

GOBAQYCCUYZMJY-HGLYATPPSA-N

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