Lup-20(29)-en-3-ol, (3.beta.)-

SpectraBase Compound ID	8I9sZNUa7lf
InChI	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29-,30+/m0/s1
InChIKey	MQYXUWHLBZFQQO-SROVDQKYSA-N Google Search
Mol Weight	426.7 g/mol
Molecular Formula	C30H50O
Exact Mass	426.386166 g/mol

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SpectraBase Spectrum ID	1MMfRsYZBFI
Name	Lup-20(29)-en-3-ol, (3.beta.)-
Alternate Name(s)	Lup-20(29)-en-3-ol (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-ol (3-BETA)-LUP-20(29)-EN-3-OL .beta.-Viscol 1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv. 3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol 3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol Clerodol Fagarasterol Fagarsterol LUP-20(29)-EN-3-OL, (3-BETA)- Lup-20(29)-en-3.beta.-ol Lupenol Lupeol Monogynol B Triterpene lupeol EINECS 208-889-9 NSC 90487
CAS Registry Number	545-47-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H50O
InChI	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29-,30+/m0/s1
InChIKey	MQYXUWHLBZFQQO-SROVDQKYSA-N
Molecular Weight	426.729 g/mol
SMILES	O[C@@]1(C([C@@]2(CC[C@]3([C@@]4([C@@]([C@]5([C@](C(=C)C)(CC[C@@]5(CC4)C)[H])[H])(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])(C)C)[H]
SPLASH	splash10-05r9-0890500000-04d4976c60cab555a66e
Source of Spectrum	QA-45-107-11
Wiley ID	862773