(Q105280991)

English

(2R,4aR,6aR,6aR,6bR,8aR,12aR,14bR)-2-formyl-2,4a,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-6a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-formyl-2,4a,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-6a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

468.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₄

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canonical SMILES

O=CC1(C)CCC2(C)CCC3(C(=O)O)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1

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isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C=O)CC[C@]3(C)CC[C@]21C(=O)O

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found in taxon

Cordia alliodora

1 reference

stated in

Ant-repellent triterpenoids from Cordia alliodora

Identifiers

InChI

InChI=1S/C30H44O4/c1-25(2)21-9-12-29(6)22(28(21,5)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-14-27(20,4)15-16-30(19,29)24(33)34/h7,18,20-22H,8-17H2,1-6H3,(H,33,34)/t20-,21-,22+,26+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

UXQYYALBQFQJNJ-FUQFICMISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXQYYALBQFQJNJ-FUQFICMISA-N

1 reference

(Q105280991)

(2R,4aR,6aR,6aR,6bR,8aR,12aR,14bR)-2-formyl-2,4a,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-6a-carboxylic acid

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Identifiers

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