(Q105267858)

English

(4aR,6aR,6bS,8aR,10S,12aS,14aR,14bR)-10-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,14b-pentamethyl-11-methylidene-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,14b-pentamethyl-11-methylidene-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₃

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5CC(=C)C(O)CC5(CO)CCC43C)C1(C)C

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isomeric SMILES

C=C1C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)C[C@@H]1O

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Immunosuppressive terpenoids from extracts of Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C29H44O3/c1-18-15-20-19-7-8-23-26(4)11-10-24(32)25(2,3)22(26)9-12-28(23,6)27(19,5)13-14-29(20,17-30)16-21(18)31/h7,20-23,30-31H,1,8-17H2,2-6H3/t20-,21-,22-,23+,26-,27+,28+,29-/m0/s1

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InChIKey

TZAFFNGIGHHXRX-XPKJKFCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TZAFFNGIGHHXRX-XPKJKFCLSA-N

1 reference

(Q105267858)

(4aR,6aR,6bS,8aR,10S,12aS,14aR,14bR)-10-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,14b-pentamethyl-11-methylidene-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

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Identifiers

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