(Q105287206)

English

(3R,6aR,6bS,8S,8aS,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,8-diol

group of stereoisomers with the chemical formula C₃₀H₅₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)C(O)CC43C)C1(C)C

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isomeric SMILES

C[C@@H]1C2C3=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC[C@H]1C

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found in taxon

Trattinnickia burserifolia

1 reference

stated in

Phytochemistry of Trattinnickia burserifolia, T. rhoifolia, and Dacryodes hopkinsii: chemosystematic implications

Identifiers

InChI

InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21?,22?,23-,24+,25?,27+,28-,29-,30-/m1/s1

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InChIKey

VJFLMYRRJUWADI-FDACDUCESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJFLMYRRJUWADI-FDACDUCESA-N

(Q105287206)

(3R,6aR,6bS,8S,8aS,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,8-diol

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Identifiers

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