(Q105214425)

English

(2S,4aR,6aS,6aS,6bR,8aS,10S,12aR,14bR)-2-formyl-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-Formyl-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

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

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isomeric SMILES

CC1(C)[C@@H](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(=O)O)CC[C@]21C

0 references

found in taxon

Akebia quinata

1 reference

stated in

Triterpenoids of Akebia quinata callus tissue

Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21-,22+,23+,26+,27+,28-,29-,30+/m1/s1

0 references

InChIKey

PSVUXINTOJTBOI-GBTZXOCISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105214425)

(2S,4aR,6aS,6aS,6bR,8aS,10S,12aR,14bR)-2-formyl-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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