(Q105165142)

English

[(4aS,6aR,6aR,6bR,8aS,9R,12aR,14aS,14bS)-4a-acetyloxy-2,2,6a,8a,9,14a-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-6a-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(4a-acetyloxy-2,2,6a,8a,9,14a-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-6a-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₅

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canonical SMILES

O=C(OCC12CCC3(C)C4CC(C)(C)CCC4(OC(=O)C)CCC3(C)C2CCC5(C)C(C(=O)CCC51)C)C

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isomeric SMILES

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

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found in taxon

Elaeodendron glaucum

1 reference

stated in

Elaeodendrol and elaeodendradiol, new nor-triterpenes from Elaeodendron glaucum

Identifiers

InChI

InChI=1S/C33H52O5/c1-21-24(36)9-10-25-29(21,6)12-11-26-30(7)15-18-33(38-23(3)35)17-13-28(4,5)19-27(33)31(30,8)14-16-32(25,26)20-37-22(2)34/h21,25-27H,9-20H2,1-8H3/t21-,25+,26+,27-,29+,30+,31-,32+,33-/m0/s1

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InChIKey

MIPMWMOHJFDROR-ISEKNBCRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105165142)

[(4aS,6aR,6aR,6bR,8aS,9R,12aR,14aS,14bS)-4a-acetyloxy-2,2,6a,8a,9,14a-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-6a-yl]methyl acetate

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