Talaroconvolutin C

SpectraBase Compound ID	EiYvEEJIFRo
InChI	InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,33+,34?/m0/s1
InChIKey	SDUCDGMAWSHYSB-CITNPMNLSA-N Google Search
Mol Weight	551.8 g/mol
Molecular Formula	C34H49NO5
Exact Mass	551.361074 g/mol

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SpectraBase Spectrum ID	36Ay5B1ImAg
Name	Talaroconvolutin C
Alternate Name(s)	3-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-oxomethyl]-4-ethoxy-5-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-pyrrolidinone 3-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-4-ethoxy-5-hydroxy-5-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one 3-[(1R,2S,4aS,6S,8aR)-2-[(E)-1,3-dimethylpent-1-enyl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-4-ethoxy-5-hydroxy-5-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one 3-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]carbonyl]-4-ethoxy-5-[(4-hydroxyphenyl)methyl]-5-oxidanyl-pyrrolidin-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H49NO5
InChI	InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,33+,34?/m0/s1
InChIKey	SDUCDGMAWSHYSB-CITNPMNLSA-N
Molecular Weight	551.768 g/mol
SMILES	N1C(C(C(C([C@]2([C@](C(C)=C[C@@]3([C@@]2(CC[C@](C)(C3)[H])[H])C)(\C(=C\C(CC)C)C)[H])[H])=O)C1=O)OCC)(Cc1ccc(cc1)O)O
SPLASH	splash10-0a4j-9606660000-45aa3fabefea93b58331
Source of Spectrum	G4-63-772-3
Wiley ID	1608464