(Q104960322)

English

dimethyl (3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Dimethyl 3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

514.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

dimethyl (3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₀O₅

0 references

canonical SMILES

O=C(OC)C1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)OC)CCC43C

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isomeric SMILES

COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

0 references

found in taxon

Castanospermum australe

1 reference

stated in

Extractives of Australian timbers. XII. Minor sapogenins of Castanospermum australe (Leguminosae). A stereospecific synthesis of methyl 2β,3β-Dihydroxyolean-12-en-28-oate

Identifiers

InChI

InChI=1S/C32H50O5/c1-27(2)15-17-32(26(35)37-8)18-16-29(4)20(21(32)19-27)9-10-22-28(3)13-12-24(33)31(6,25(34)36-7)23(28)11-14-30(22,29)5/h9,21-24,33H,10-19H2,1-8H3/t21-,22+,23+,24-,28+,29+,30+,31+,32-/m0/s1

0 references

InChIKey

CIUCHIGIQYHQCU-BAEOHRLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CIUCHIGIQYHQCU-BAEOHRLUSA-N

(Q104960322)

dimethyl (3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

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