(Q104987805)

English

(2R,4R,4aR,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-2-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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Statements

instance of

type of chemical entity

0 references

subclass of

friedelane triterpenoid

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mass

442.38108084 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-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=C1C(O)CC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(C)CCC34C)C1C

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isomeric SMILES

C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Endodesmia calophylloides

1 reference

stated in

Endodesmiadiol, a friedelane triterpenoid, and other antiplasmodial compounds from Endodesmia calophylloides

Identifiers

InChI

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

0 references

InChIKey

DSEKYWAQQVUQTP-UDDODTLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSEKYWAQQVUQTP-UDDODTLWSA-N

(Q104987805)

(2R,4R,4aR,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-2-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

Statements

Identifiers

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