(Q105233145)

English

3,3',8abeta,8'abeta-Tetramethyl-5,5'-bismethylene-4,4',4aalpha,4'aalpha,5,5',6,6',7,7',8,8',8a,8'a,9,9'-hexadecahydro-9abeta,9'abeta(2H,2'H)-bi[naphtho[2,3-b]furan]-2,2'-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9a-(3,8a-Dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

462.277009696 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₄

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canonical SMILES

O=C1OC2(C(=C1C)CC3C(=C)CCCC3(C)C2)C45OC(=O)C(=C5CC6C(=C)CCCC6(C)C4)C

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isomeric SMILES

C=C1CCC[C@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@@H]12

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found in taxon

Atractylodes macrocephala

1 reference

stated in

Screening for compounds with aromatase inhibiting activities from Atractylodes macrocephala Koidz.

Identifiers

InChI

InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m0/s1

0 references

InChIKey

RBJDJJGMGHKQMI-ZEZNTJNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RBJDJJGMGHKQMI-ZEZNTJNFSA-N

1 reference

(Q105233145)

3,3',8abeta,8'abeta-Tetramethyl-5,5'-bismethylene-4,4',4aalpha,4'aalpha,5,5',6,6',7,7',8,8',8a,8'a,9,9'-hexadecahydro-9abeta,9'abeta(2H,2'H)-bi[naphtho[2,3-b]furan]-2,2'-dione

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Identifiers

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