(Q105345112)

English

(4R,4aS,6aS,6aS,6bR,8aR,12aR,13R,14aS,14bS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aS,6aS,6aS,6bR,8aR,12aR,13S,14aS,14bS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4R,4aS,6aS,6aS,6bR,8aR,12aS,13S,14aS,14bS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CC(O)C4(C)C5CC(C)(C)CCC5(C)CCC34C)C1C

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isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Salacia chinensis

1 reference

stated in

The absolute stereostructures of three rare D:B-friedobaccharane skeleton triterpenes from the leaves of Salacia chinensis

Identifiers

InChI

InChI=1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)18-24(32)30(8)23-17-25(2,3)13-14-26(23,4)15-16-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

XZRDCSZHJNNFFD-GSZUHYBZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105345112)

(4R,4aS,6aS,6aS,6bR,8aR,12aR,13R,14aS,14bS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

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