(Q105032225)

English

(2R,4R,4aR,6aS,6aS,6bR,8aS,12aS,14aS,14bR)-2-hydroxy-8a-(hydroxymethyl)-4,4a,6a,6b,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

friedelane triterpenoid

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mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

O=C1C(O)CC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(CO)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(CO)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/C30H50O3/c1-19-24(33)20(32)16-22-26(19,4)9-8-21-27(22,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(21,29)6/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21-,22-,23-,26-,27+,28+,29-,30+/m0/s1

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InChIKey

HQFULWCDKPRQOS-CXLAQFIXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HQFULWCDKPRQOS-CXLAQFIXSA-N

(Q105032225)

(2R,4R,4aR,6aS,6aS,6bR,8aS,12aS,14aS,14bR)-2-hydroxy-8a-(hydroxymethyl)-4,4a,6a,6b,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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