(Q110176082)

English

(4S,5R,8R,9R,10R,13R,14R,17S)-4-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,8,10,14-tetramethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

protostane/dammarane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,5R,8R,9R,10R,13R,14R,17S)-4-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,8,10,14-tetramethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

(4R,5R,8R,9R,10R,13R,14R,17S)-4-(hydroxymethyl)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,8,10,14-tetramethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₄

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(CC5)C(O)(C)C)C)C1(C)CO

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isomeric SMILES

CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)[C@](C)(CO)[C@@H]4CC[C@]23C)O1

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found in taxon

Dysoxylum binectariferum

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Identifiers

InChI

InChI=1S/C30H50O4/c1-25(2,33)24-13-17-30(7,34-24)20-10-15-28(5)19(20)8-9-22-26(3)14-12-23(32)27(4,18-31)21(26)11-16-29(22,28)6/h19-22,24,31,33H,8-18H2,1-7H3/t19-,20+,21-,22-,24+,26+,27-,28-,29-,30+/m1/s1

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InChIKey

YQRDVNAQIGPOEY-BKOUEHDESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQRDVNAQIGPOEY-BKOUEHDESA-N

1 reference

(Q110176082)

(4S,5R,8R,9R,10R,13R,14R,17S)-4-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,8,10,14-tetramethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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