Arundoin

• CAS: 4555-56-0
• Catalog Number: ACM4555560
• Category: Main Products
• Molecular Weight: 440.751
• Molecular Formula: C₃₁H₅₂O
• Synonyms: Arundoin;3β-Methoxy-D:C-friedo-B:A-neogammacer-9(11)-ene
• IUPAC Name: (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
• Canonical SMILES: CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C
• InChI Key: MRNPHCMRIQYRFU-KXUMSINMSA-N
• Exact Mass: 440.40200

Custom Q&A

What is the molecular formula of Arundoin?

The molecular formula of Arundoin is C31H52O.

What are the synonyms of Arundoin?

The synonyms of Arundoin are 4555-56-0, (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene, SCHEMBL3679263, and CHEBI:80794.

Where can Arundoin be found?

Arundoin is a natural product found in Austroderia toetoe, Euphorbia maculata, and other organisms.

What is the molecular weight of Arundoin?

The molecular weight of Arundoin is 440.7 g/mol.

What is the IUPAC name of Arundoin?

The IUPAC name of Arundoin is (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene.

What is the InChI of Arundoin?

The InChI of Arundoin is InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1.

What is the InChIKey of Arundoin?

The InChIKey of Arundoin is MRNPHCMRIQYRFU-KXUMSINMSA-N.

What is the Canonical SMILES of Arundoin?

The Canonical SMILES of Arundoin is CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C.

What is the Nikkaji Number of Arundoin?

The Nikkaji Number of Arundoin is J12.773F.

What is the KEGG ID of Arundoin?

The KEGG ID of Arundoin is C16916.