(Q104968496)

English

(1R,4R,5S,9R,10R,13S)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,4S,5R,9S,10S)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

5-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

302.2245802 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4S,5R,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₂

0 references

canonical SMILES

O=CC1=CC23CCC4C(C)(CO)CCCC4(C)C3CCC1C2

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isomeric SMILES

C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]13C=C(C=O)[C@@H](CC[C@@H]12)C3

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found in taxon

Tripterygium doianum

1 reference

stated in

Kaurane and abietane diterpenoids from Tripterygium doianum (Celastraceae).

Identifiers

InChI

InChI=1S/C20H30O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h11-12,14,16-17,22H,3-10,13H2,1-2H3/t14-,16-,17+,18+,19-,20+/m0/s1

0 references

InChIKey

CRENVNKSLGXMGW-KUIMHTBBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CRENVNKSLGXMGW-KUIMHTBBSA-N

(Q104968496)

(1R,4R,5S,9R,10R,13S)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carbaldehyde

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Identifiers

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