(Q105258121)

English

(4R,4aS,6aS,6aS,6bS,8aS,10R,12aR,14aS,14bS)-10-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-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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Statements

instance of

type of chemical entity

0 references

subclass of

10-hydroxy-6b-(hydroxymethyl)-4,4a,8a,11,11,12b,14a-heptamethyl-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aR,6aS,6aS,6bS,8aS,10R,12aR,14aS,14bR)-10-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-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,6aR,6aS,6bS,8aS,10R,12aR,14aS,14bS)-10-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-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

C₃₀H₅₀O₃

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canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)C(O)CC5(C)CCC34CO)C1C

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isomeric SMILES

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

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found in taxon

Kothala himbutu

2 references

stated in

Biogenetically important quinonemethides and other triterpenoid constituents of Salacia reticulata

stated in

21α,26-dihydroxy-D:A-friedooleanan-3-one from Salacia reticulata var. Diandra (celastraceae)

Identifiers

InChI

InChI=1S/C30H50O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-14-29(7)23-16-25(2,3)24(33)17-26(23,4)12-15-30(22,29)18-31/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,26-,27+,28-,29-,30-/m0/s1

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InChIKey

SQMGCOFTYBENRX-WNKAOFGTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQMGCOFTYBENRX-WNKAOFGTSA-N

1 reference

(Q105258121)

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

Statements

Identifiers

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