(Q105312073)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

1,6-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-2H-picene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₅

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canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C=CC(=O)C(C)(C)C5CCC4(C)C3(C)C(O)C1)C

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isomeric SMILES

C[C@@H]1CC[C@]2(C(=O)O)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O

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found in taxon

Keetia multiflora

1 reference

stated in

A new oxygenated ursane derivative from Canthium multiflorum

Identifiers

InChI

InChI=1S/C30H44O5/c1-17-10-15-30(24(33)34)16-22(32)28(6)18(23(30)29(17,7)35)8-9-20-26(4)13-12-21(31)25(2,3)19(26)11-14-27(20,28)5/h8,12-13,17,19-20,22-23,32,35H,9-11,14-16H2,1-7H3,(H,33,34)/t17-,19+,20-,22+,23-,26+,27-,28+,29-,30+/m1/s1

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InChIKey

WSSUUFWHIHLJEL-JDGKJQCSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WSSUUFWHIHLJEL-JDGKJQCSSA-N

(Q105312073)

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

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