(Q105029471)

English

(5R,7R,8R,9R,10R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

apotirucallane triterpenoid

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mass

498.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

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canonical SMILES

O=C1C=CC2(C)C(CC(O)C3(C4=CCC(C5CC(OC5OC)C6OC6(C)C)C4(C)CCC23)C)C1(C)C

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isomeric SMILES

CO[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C

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found in taxon

Turraea pubescens

1 reference

stated in

Bioactive limonoid and triterpenoid constituents of Turraea pubescens

Identifiers

InChI

InChI=1S/C31H46O5/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(35-26(17)34-8)25-28(3,4)36-25)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,12,14,17-19,21-22,24-26,33H,9,11,13,15-16H2,1-8H3/t17-,18-,19+,21+,22-,24+,25-,26-,29-,30+,31-/m0/s1

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InChIKey

HJVGTFSNOJVDMN-RRHJXXRXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJVGTFSNOJVDMN-RRHJXXRXSA-N

1 reference

(Q105029471)

(5R,7R,8R,9R,10R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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