(Q105141626)

English

(5S,6S,7S,13aS)-5,6,7,8-Tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta[1,2-f:3,4-f']bis[1,3]benzodioxol-5-yl (2Z)-2-methyl-2-butenoate

group of stereoisomers with the chemical formula C₂₇H₃₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

498.18898254 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₉

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C(OC)=C2C=4C(OC)=C5OCOC5=CC4CC(C)C1(O)C)C(=CC)C

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found in taxon

Schisandra sphenanthera

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stated in

Four new lignans from Schisandra sphenanthera

Kadsura interior

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stated in

Compounds from Kadsura angustifolia with anti-HIV activity

Kadsura heteroclita

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stated in

Compounds from Kadsura angustifolia with anti-HIV activity

Identifiers

InChI

InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3

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InChIKey

KIOQRWNZGHZFHB-UHFFFAOYSA-N

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CAS Registry Number

181701-07-5

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KIOQRWNZGHZFHB-UHFFFAOYSA-N

DSSTox substance ID

DTXSID701100640

1 reference

matched by identifier from

InChIKey

KIOQRWNZGHZFHB-UHFFFAOYSA-N

(Q105141626)

(5S,6S,7S,13aS)-5,6,7,8-Tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta[1,2-f:3,4-f']bis[1,3]benzodioxol-5-yl (2Z)-2-methyl-2-butenoate

Statements

Identifiers

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