About: (2S,3R,8R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one

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About: (2S,3R,8R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₃₇H₄₇NO₅

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) група стереоізомерів з хімічною формулою C₃₇H₄₇NO₅ (uk) group of stereoisomers with the chemical formula C₃₇H₄₇NO₅ (en)
rdfs:label	(2S,3R,8R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one (en)
skos:prefLabel	(2S,3R,8R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one (en)
name	(2S,3R,8R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one (en)
isomeric SMILES	wds:Q105131812-2CCDA4D7-48E6-48B0-BF7A-DC7FD8541245
isomeric SMILES	CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H](C(C)(C)O)OC3CC[C@]2(C)[C@@]51C
instance of	wds:Q105131812-CC51D050-3D99-4874-94F6-6217F5410FF8
instance of	group of stereoisomers
subclass of	wds:Q105131812-0BD19E3E-6DD4-4141-82BC-76331F17014C wds:Q105131812-DDCE8022-0D2D-4B36-B353-A8E0D5C01D64
subclass of	indole-diterpenoid alkaloid 2,3,6-trimethylheptane monoterpenoid
UniChem compound ID	wds:Q105131812-5F35AD02-E6EA-4AC7-9F59-3A641E524A82
canonical SMILES	wds:Q105131812-ACCBC782-FD1A-413F-9493-6466FC7DAC2F
InChI	wds:Q105131812-17B44C32-E76D-4982-90FB-C462C8B66A34
InChIKey	wds:Q105131812-C22731AE-CB22-478B-B835-DE682260B5DA
chemical formula	wds:Q105131812-2665DB85-A46B-4087-8241-D8C65D233F97
PubChem CID	wds:Q105131812-00F29A0C-A07A-47F1-A0E7-F9712DEE4340
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID132566838
UniChem compound ID	164485419
canonical SMILES	O=C1C=C2C(OC1C(O)(C)C)CCC3(C)C2(O)CCC4CC=5C6=CC7=C(C=C6NC5C43C)C8=CC(OC(C)(C)C8C7)(C)C
InChI	InChI=1S/C37H47NO5/c1-32(2)18-24-21-16-27-22(13-19(21)14-25(24)34(5,6)43-32)23-15-20-9-12-37(41)26-17-28(39)31(33(3,4)40)42-29(26)10-11-35(37,7)36(20,8)30(23)38-27/h13,16-18,20,25,29,31,38,40-41H,9-12,14-15H2,1-8H3/t20-,25-,29?,31-,35+,36+,37+/m0/s1
InChIKey	JNCCSFRDVVNJKT-PYUGHZSMSA-N
chemical formula	C₃₇H₄₇NO₅
PubChem CID	132566838
mass	wds:Q105131812-CCCC6060-B44F-448F-B530-C51F4BC52CC5
mass	585.3454236039998 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105131812
is subclass of of	(2S,3R,6S,8R,12S,15S,22R)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one Shearinine B
is subclass of of	wds:Q105131811-A0586C64-0A60-4CF3-BF79-C70B4C36458B wds:Q77511211-9BAB9AE1-52B6-4EEB-AA46-0F71AA0913EC

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