(Q105143429)

English

methyl (4R,4aR,6aS,6aS,6bR,8aR,9S,11R,12aS,14aR,14bR)-9-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-3,10-dioxo-2,4,5,6,6a,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 9-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-3,10-dioxo-2,4,5,6,6a,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₅

0 references

canonical SMILES

O=C(OC)C12CCC3C(C)(CCC4(C)C5CC(C(=O)C(O)C5(C)CCC34C)C)C2CCC(=O)C1C

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isomeric SMILES

COC(=O)[C@]12CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@H]1CCC(=O)[C@@H]2C

0 references

found in taxon

Tripterygium wilfordii

1 reference

stated in

Studies with tissue cultures of the Chinese herbal plant, Tripterygiumwilfordii. Isolation of metabolites of interest in rheumatoid arthritis, immunosuppression, and male contraceptive activity

Identifiers

InChI

InChI=1S/C30H46O5/c1-17-16-22-27(4,24(33)23(17)32)13-15-28(5)20-10-11-30(25(34)35-7)18(2)19(31)8-9-21(30)26(20,3)12-14-29(22,28)6/h17-18,20-22,24,33H,8-16H2,1-7H3/t17-,18+,20+,21-,22-,24-,26-,27-,28-,29+,30+/m1/s1

0 references

InChIKey

KNIXFTUCWDHXDH-PLRKHMCJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KNIXFTUCWDHXDH-PLRKHMCJSA-N

(Q105143429)

methyl (4R,4aR,6aS,6aS,6bR,8aR,9S,11R,12aS,14aR,14bR)-9-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-3,10-dioxo-2,4,5,6,6a,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

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