(Q104168105)

English

L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-, 5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12xi)-

group of stereoisomers with the chemical formula C₄₀H₅₀O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

2,8-dioxabicyclo[3.2.1]octane polyketide

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inferred from

2,8-dioxabicyclo[3.2.1]octane polyketide

mass

722.33022704 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₀O₁₂

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canonical SMILES

O=C(O)C1OC2(OC(C(=O)O)(C(OC(=O)CCC=CC(C)CCCC=3C=CC=CC3)C2O)C1(O)C(=O)O)CCC=CC(C)CCCC=4C=CC=CC4

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found in taxon

Leptodontidium elatius var. elatius

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stated in

Novel Zaragozic Acids fromLeptodontidium elatius

Identifiers

InChI

InChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)

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InChIKey

HPNWHOBVFZEFCZ-UHFFFAOYSA-N

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CAS Registry Number

151990-70-4

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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17 September 2022

inferred from InChIKey

DSSTox substance ID

DTXSID701098601

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matched by identifier from

InChIKey

HPNWHOBVFZEFCZ-UHFFFAOYSA-N

(Q104168105)

L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-, 5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12xi)-

Statements

Identifiers

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