(Q104400380)

English

13-Hydroxy-4,9-dimethyl-13-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one

group of stereoisomers with the chemical formula C₂₁H₂₈O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloeudesmane sesquiterpenoid

1 reference

inferred from

cycloeudesmane sesquiterpenoid

mass

424.17333247599976 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₉

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canonical SMILES

O=C1OC2=CC3(C)C4CC4C(O)(COC5OC(CO)C(O)C(O)C5O)C3CC2=C1C

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found in taxon

Chloranthus japonicus

1 reference

stated in

Sesquiterpene Glucosides from Chloranthus japonicus Sieb

Sarcandra glabra

1 reference

stated in

The Structures of Two Lindenane Sesquiterpene Glucosides fromChloranthus glaber

Chloranthus serratus

1 reference

stated in

Sesquiterpene Glucosides from Chloranthus japonicus Sieb

Identifiers

InChI

InChI=1S/C21H28O9/c1-8-9-3-14-20(2,5-12(9)29-18(8)26)10-4-11(10)21(14,27)7-28-19-17(25)16(24)15(23)13(6-22)30-19/h5,10-11,13-17,19,22-25,27H,3-4,6-7H2,1-2H3

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InChIKey

HCKVSBCCVCMKKB-UHFFFAOYSA-N

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CAS Registry Number

159768-64-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCKVSBCCVCMKKB-UHFFFAOYSA-N

DSSTox substance ID

DTXSID601317466

1 reference

matched by identifier from

InChIKey

HCKVSBCCVCMKKB-UHFFFAOYSA-N

(Q104400380)

13-Hydroxy-4,9-dimethyl-13-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one

Statements

Identifiers

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