(Q104990927)

English

(2R,3R,5S)-2-(2-hydroxypropan-2-yl)-5-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxan-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(2-Hydroxypropan-2-yl)-5-(3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxan-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

460.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₄

0 references

canonical SMILES

OC1CC(COC1C(O)(C)C)C2CCC3C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC32C

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isomeric SMILES

CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C[C@H]1O

0 references

found in taxon

Turraea pubescens

1 reference

stated in

Cytotoxic Terpenoids fromTurraea pubescens

Identifiers

InChI

InChI=1S/C29H48O4/c1-26(2)23-10-7-18-20-9-8-19(17-15-22(30)25(33-16-17)27(3,4)32)28(20,5)13-11-21(18)29(23,6)14-12-24(26)31/h7,17,19-25,30-32H,8-16H2,1-6H3/t17-,19+,20-,21+,22-,23+,24+,25-,28+,29-/m1/s1

0 references

InChIKey

DXCDJGWNXWYFJA-BPWNPLFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DXCDJGWNXWYFJA-BPWNPLFDSA-N

(Q104990927)

(2R,3R,5S)-2-(2-hydroxypropan-2-yl)-5-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxan-3-ol

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