(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid (CHEBI:181879)

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CHEBI:181879 - (2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid

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ChEBI ID	CHEBI:181879
ChEBI Name	(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O8
Net Charge	0
Average Mass	534.690
Monoisotopic Mass	534.31927
SMILES	CC1(CO)CC(O)[C@]2(C(=O)O)CCC34CC3(C=CC3[C@]5(C)C(CC[C@]34C)C(C)(CO)[C@@H](O)[C@H](O)[C@@H]5O)C2C1
InChI	InChI=1S/C30H46O8/c1-24(14-31)11-18-28-8-6-17-26(3,29(28,13-28)9-10-30(18,23(37)38)19(33)12-24)7-5-16-25(2,15-32)21(35)20(34)22(36)27(16,17)4/h6,8,16-22,31-36H,5,7,9-15H2,1-4H3,(H,37,38)/t16?,17?,18?,19?,20-,21-,22-,24?,25?,26+,27-,28?,29?,30-/m0/s1
InChIKey	IXIMDUAPYHOVHL-QQQCTMDWSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid (CHEBI:181879) is a scalarane sesterterpenoid (CHEBI:59370)

IUPAC Name
(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid

Manual Xrefs	Databases
22913278	ChemSpider