(Q105352918)

English

(1S,4R,9R,10R,12R,13R,14R)-10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(4R,9R,10R,12R,13R,14R)-10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1H-2,10a-Ethanophenanthrene, kauran-17-al deriv.

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

O=CC1(O)CC23CCC4C(C)(C)CCCC4(C)C3(O)C(=O)C(O)C1(O)C2

0 references

isomeric SMILES

CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@](O)(C=O)[C@@](O)(C1)[C@@H](O)C(=O)[C@@]32O

0 references

found in taxon

Punctularia atropurpurascens

3 references

stated in

Antibiotics from basidiomycetes. 26. Phlebiakauranol aldehyde an antifungal and cytotoxic metabolite from Punctularia atropurpurascens

stated in

Antibiotics from basidiomycetes. 26. Phlebiakauranol aldehyde an antifungal and cytotoxic metabolite from Punctularia atropurpurascens

stated in

Antibiotics from basidiomycetes. 26. Phlebiakauranol aldehyde an antifungal and cytotoxic metabolite from Punctularia atropurpurascens

Identifiers

InChI

InChI=1S/C20H30O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h11-13,22,24-26H,4-10H2,1-3H3/t12-,13+,16-,17-,18+,19-,20+/m1/s1

0 references

InChIKey

YRNWJHCNUMMHJM-MSSXRYPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRNWJHCNUMMHJM-MSSXRYPISA-N

ChEBI ID

224862

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H30O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h11-13,22,24-26H,4-10H2,1-3H3/t12-,13+,16-,17-,18+,19-,20+/m1/s1

1 reference

Natural Product Atlas ID

NPA021364

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YRNWJHCNUMMHJM-MSSXRYPISA-N

(Q105352918)

(1S,4R,9R,10R,12R,13R,14R)-10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde

Statements

Identifiers

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