(Q105237516)

English

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

chemical compound

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C

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found in taxon

Oedera calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-23,31H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21-,22-,23+,27+,28-,29-,30+/m1/s1

0 references

InChIKey

RJIPZJFQEWTNSN-NCVRMBIUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RJIPZJFQEWTNSN-NCVRMBIUSA-N

(Q105237516)

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

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