alpha-{hexahydro-5alpha-hydroxy-4-[(E)-3S-hydroxy-1-octenyl]-(Z)-3alpha,6aalpha-2H-cyclopenta[b]furan-2-ylidene-m-toluic aicd,monosodium salt

SpectraBase Compound ID	DBJR8QE2zRb
InChI	InChI=1S/C23H30O5.Na/c1-2-3-4-8-17(24)9-10-19-20-13-18(28-22(20)14-21(19)25)12-15-6-5-7-16(11-15)23(26)27;/h5-7,9-12,17,19-22,24-25H,2-4,8,13-14H2,1H3,(H,26,27);/q;+1/p-1/b10-9+,18-12-;/t17-,19?,20+,21+,22-;/m0./s1
InChIKey	BWUQIQFFJCJQMU-GDNNXSDKSA-M Google Search
Mol Weight	408.46976928 g/mol
Molecular Formula	C23H29NaO5
Exact Mass	408.191268 g/mol

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SpectraBase Spectrum ID	3roR7NgIuIQ
Name	alpha-{HEXAHYDRO-5alpha-HYDROXY-4-[(E)-3S-HYDROXY-1-OCTENYL]-(Z)-3alpha,6aalpha-2H-CYCLOPENTA[b]FURAN-2-YLIDENE}-m-TOLUIC ACID, MONOSODIUM SALT
Source of Sample	E. Frankus and S. M. A. Kim, Gruenenthal GmbH, Stolberg, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H29NaO5
InChI	InChI=1S/C23H30O5.Na/c1-2-3-4-8-17(24)9-10-19-20-13-18(28-22(20)14-21(19)25)12-15-6-5-7-16(11-15)23(26)27;/h5-7,9-12,17,19-22,24-25H,2-4,8,13-14H2,1H3,(H,26,27);/q;+1/p-1/b10-9+,18-12-;/t17-,19?,20+,21+,22-;/m0./s1
InChIKey	BWUQIQFFJCJQMU-GDNNXSDKSA-M
Literature Reference	ARZNEIM.-FORSCH. (DRUG-RES.) 33, 1240(1983) Abstract-Chemical Abstracts= 100, 191613(1984)
Molecular Weight	408.470001
Synonyms	M-TOLUIC ACID, A-/HEXAHYDRO- 5A-HYDROXY-4-//E/-3S-HYDROXY-1-OCTEN- YL/-/Z/-3A,6AA-2H-CYCLOPENTA/B/FURAN- 2-YLIDENE/-, MONOSODIUM SALT
Technique	KBr WAFER